propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate

C23H35ClN4O4 — CID 143229726

IUPACpropan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate
SMILESCC(C)OC(=O)Nc1cnc(N2CCCC(CCCN(C=O)C3CCOCC3)C2)c(Cl)c1
InChIInChI=1S/C23H35ClN4O4/c1-17(2)32-23(30)26-19-13-21(24)22(25-14-19)27-9-3-5-18(15-27)6-4-10-28(16-29)20-7-11-31-12-8-20/h13-14,16-18,20H,3-12,15H2,1-2H3,(H,26,30)
InChIKeyWBJJGGWJBMWQHF-UHFFFAOYSA-N
MW467.01 g/mol
LogP4.33
Rot. Bonds9

About propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate

propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate (PubChem CID 143229726) has the molecular formula C23H35ClN4O4 and a molecular weight of 467.01 g/mol. Its IUPAC name is propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate
PubChem CID143229726
Molecular FormulaC23H35ClN4O4
Molecular Weight467.01 g/mol
Exact Mass466.23
IUPAC Namepropan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate
SMILESCC(C)OC(=O)Nc1cnc(N2CCCC(CCCN(C=O)C3CCOCC3)C2)c(Cl)c1
InChIInChI=1S/C23H35ClN4O4/c1-17(2)32-23(30)26-19-13-21(24)22(25-14-19)27-9-3-5-18(15-27)6-4-10-28(16-29)20-7-11-31-12-8-20/h13-14,16-18,20H,3-12,15H2,1-2H3,(H,26,30)
InChIKeyWBJJGGWJBMWQHF-UHFFFAOYSA-N
XLogP4.33
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.01
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

N-[3-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-3-yl]propyl]-N-cyclohexylformamide
CID 143229447
N-[3-[1-(4-cyano-2-fluorophenyl)piperidin-3-yl]propyl]-N-(oxan-4-yl)formamide
CID 143229551
N-[2-[1-(3-chloro-2-pyridinyl)piperidin-3-yl]ethyl]-N-(4-hydroxycyclohexyl)formamide
CID 143229783
N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-3-pyridinyl]acetamide
CID 143229638
N-[2-[1-(3-cyano-2-pyridinyl)piperidin-3-yl]ethyl]-N-(oxan-4-yl)formamide
CID 143229666
N-[4-[3-[3-[cyclohexyl(formyl)amino]propyl]piperidin-1-yl]-3-(trifluoromethyl)phenyl]acetamide
CID 143229391
N-cyclohexyl-N-[3-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]propyl]formamide
CID 143229815
N-[[5-chloro-6-[3-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]ethanamine
CID 106589185
ethane;ethyl N-[6-[3-[2-[cyclohexyl(formyl)amino]ethyl]piperidin-1-yl]-4-methyl-3-pyridinyl]carbamate
CID 143229820
6-[3-[3-(2-chloro-N-formylanilino)propyl]piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 143229411
N-[4-[2-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetyl]-6-methyl-2-pyridinyl]-2-methylpropanamide
CID 163448313
5-chloro-6-[3-(methylaminomethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 61404189

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate?
The IUPAC name of propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate (CID 143229726) is propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate.
What is the SMILES notation for propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate?
The canonical SMILES for propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate is CC(C)OC(=O)Nc1cnc(N2CCCC(CCCN(C=O)C3CCOCC3)C2)c(Cl)c1.
What is the InChIKey of propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate?
The InChIKey is WBJJGGWJBMWQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN4O4/c1-17(2)32-23(30)26-19-13-21(24)22(25-14-19)27-9-3-5-18(15-27)6-4-10-28(16-29)20-7-11-31-12-8-20/h13-14,16-18,20H,3-12,15H2,1-2H3,(H,26,30).
What are the key properties of propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate?
propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate has a molecular weight of 467.01 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[5-chloro-6-[3-[3-[formyl(oxan-4-yl)amino]propyl]piperidin-1-yl]-3-pyridinyl]carbamate is sourced from PubChem (CID 143229726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).