butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate

C30H42N6O6 — CID 67128191

IUPACbutyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate
SMILESCCCCOC(=O)NC1CCCN(c2cc(Nc3ccc(C(=O)N4CCOCC4)cc3)c(C(N)=O)c(OCCC)n2)C1
InChIInChI=1S/C30H42N6O6/c1-3-5-16-42-30(39)33-23-7-6-12-36(20-23)25-19-24(26(27(31)37)28(34-25)41-15-4-2)32-22-10-8-21(9-11-22)29(38)35-13-17-40-18-14-35/h8-11,19,23H,3-7,12-18,20H2,1-2H3,(H2,31,37)(H,32,34)(H,33,39)
InChIKeyZNZBNJXCFKPUQS-UHFFFAOYSA-N
MW582.70 g/mol
LogP3.68
Rot. Bonds12

About butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate

butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate (PubChem CID 67128191) has the molecular formula C30H42N6O6 and a molecular weight of 582.70 g/mol. Its IUPAC name is butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate
PubChem CID67128191
Molecular FormulaC30H42N6O6
Molecular Weight582.70 g/mol
Exact Mass582.32
IUPAC Namebutyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate
SMILESCCCCOC(=O)NC1CCCN(c2cc(Nc3ccc(C(=O)N4CCOCC4)cc3)c(C(N)=O)c(OCCC)n2)C1
InChIInChI=1S/C30H42N6O6/c1-3-5-16-42-30(39)33-23-7-6-12-36(20-23)25-19-24(26(27(31)37)28(34-25)41-15-4-2)32-22-10-8-21(9-11-22)29(38)35-13-17-40-18-14-35/h8-11,19,23H,3-7,12-18,20H2,1-2H3,(H2,31,37)(H,32,34)(H,33,39)
InChIKeyZNZBNJXCFKPUQS-UHFFFAOYSA-N
XLogP3.68
TPSA148.35 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.70
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(morpholine-4-carbonyl)anilino]-3-[(3R)-3-(4-propoxyanilino)piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 118143200
[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-3-pyridinyl]piperidin-3-yl]carbamic acid
CID 174813390
3-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 118114736
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 159456829
3-[3-(4-methoxyanilino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 118143269
5-[4-(morpholine-4-carbonyl)anilino]-3-[(3S)-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 138504232
N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118115009
4-[ethyl(methyl)amino]-N-[1-[4-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a][1,3,5]triazin-2-yl]piperidin-3-yl]benzamide
CID 68793103
butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate
CID 108563672
2-(3-benzamidopiperidin-1-yl)-4-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-a][1,3,5]triazine-7-carboxamide
CID 68593947
butyl N-[1-[4-[[5-amino-4-(cyclopentylamino)pyrimidin-2-yl]amino]phenyl]pyrrolidin-3-yl]carbamate
CID 142050215
4-[ethyl(methyl)amino]-N-[1-[6-[4-(morpholine-4-carbonyl)anilino]-7H-purin-9-ium-2-yl]piperidin-3-yl]benzamide
CID 123157809

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate?
The IUPAC name of butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate (CID 67128191) is butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate.
What is the SMILES notation for butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate?
The canonical SMILES for butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate is CCCCOC(=O)NC1CCCN(c2cc(Nc3ccc(C(=O)N4CCOCC4)cc3)c(C(N)=O)c(OCCC)n2)C1.
What is the InChIKey of butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate?
The InChIKey is ZNZBNJXCFKPUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N6O6/c1-3-5-16-42-30(39)33-23-7-6-12-36(20-23)25-19-24(26(27(31)37)28(34-25)41-15-4-2)32-22-10-8-21(9-11-22)29(38)35-13-17-40-18-14-35/h8-11,19,23H,3-7,12-18,20H2,1-2H3,(H2,31,37)(H,32,34)(H,33,39).
What are the key properties of butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate?
butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate has a molecular weight of 582.70 g/mol, XLogP of 3.68, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-[5-carbamoyl-4-[4-(morpholine-4-carbonyl)anilino]-6-propoxy-2-pyridinyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 67128191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).