N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide

C26H37N5O3 — CID 91272245

IUPACN-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide
SMILESCCC(C(=O)NC1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H37N5O3/c1-5-24(20-6-8-23(34-4)9-7-20)25(32)29-21-10-13-31(14-11-21)15-12-27-26(33)30-22-16-18(2)28-19(3)17-22/h6-9,16-17,21,24H,5,10-15H2,1-4H3,(H,29,32)(H2,27,28,30,33)
InChIKeyPCXZXJKVAABJAR-UHFFFAOYSA-N
MW467.61 g/mol
LogP3.60
Rot. Bonds9

About N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide

N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide (PubChem CID 91272245) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide
PubChem CID91272245
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC NameN-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide
SMILESCCC(C(=O)NC1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H37N5O3/c1-5-24(20-6-8-23(34-4)9-7-20)25(32)29-21-10-13-31(14-11-21)15-12-27-26(33)30-22-16-18(2)28-19(3)17-22/h6-9,16-17,21,24H,5,10-15H2,1-4H3,(H,29,32)(H2,27,28,30,33)
InChIKeyPCXZXJKVAABJAR-UHFFFAOYSA-N
XLogP3.60
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide 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

2-(3,4-dichlorophenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]butanamide
CID 90742460
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 68689296
1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-[4-[(4-methoxyphenyl)sulfonyl-propylamino]piperidin-1-yl]ethyl]urea
CID 11272334
1-[2-[4-[[2,6-bis(fluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 90736138
1-(2-ethyl-6-methyl-4-pyridinyl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 68689261
2-(3,4-dimethoxyphenyl)-N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-N-methylacetamide
CID 141224300
1-[2-[4-[cyclopropyl-(2-methoxy-4-methylphenyl)sulfonylamino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11295284
1-(2,6-diethyl-4-pyridinyl)-3-[2-[4-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]piperidin-1-yl]ethyl]urea
CID 91563773
1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522886
1-[2-[4-[benzenesulfonyl(cyclopropyl)amino]piperidin-1-yl]ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11397292
cis-(1R,3S)-3-[2-(4-methoxyphenyl)butanoylamino]cyclopentane-1-carboxylic acid
CID 120690555

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide?
The IUPAC name of N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide (CID 91272245) is N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide.
What is the SMILES notation for N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide?
The canonical SMILES for N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide is CCC(C(=O)NC1CCN(CCNC(=O)Nc2cc(C)nc(C)c2)CC1)c1ccc(OC)cc1.
What is the InChIKey of N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide?
The InChIKey is PCXZXJKVAABJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-5-24(20-6-8-23(34-4)9-7-20)25(32)29-21-10-13-31(14-11-21)15-12-27-26(33)30-22-16-18(2)28-19(3)17-22/h6-9,16-17,21,24H,5,10-15H2,1-4H3,(H,29,32)(H2,27,28,30,33).
What are the key properties of N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide?
N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide has a molecular weight of 467.61 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(2,6-dimethyl-4-pyridinyl)carbamoylamino]ethyl]piperidin-4-yl]-2-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 91272245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).