methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate

C21H31N3O3 — CID 148579322

IUPACmethyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(CC(C)=O)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C21H31N3O3/c1-15(25)12-16-13-19(21(26)27-2)20(22-14-16)24-10-8-18(9-11-24)23-17-6-4-3-5-7-17/h13-14,17-18,23H,3-12H2,1-2H3
InChIKeyMYKTVLKTDVYYNO-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.89
Rot. Bonds6

About methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate

methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate (PubChem CID 148579322) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate
PubChem CID148579322
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Namemethyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(CC(C)=O)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C21H31N3O3/c1-15(25)12-16-13-19(21(26)27-2)20(22-14-16)24-10-8-18(9-11-24)23-17-6-4-3-5-7-17/h13-14,17-18,23H,3-12H2,1-2H3
InChIKeyMYKTVLKTDVYYNO-UHFFFAOYSA-N
XLogP2.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate 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

ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 144575641
propyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 129253306
methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 118263623
1-(5-bromo-3-methoxycarbonyl-2-pyridinyl)-4-(cycloheptylamino)piperidine-3-carboxylic acid
CID 139325130
methyl 5-bromo-2-[(3S,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
CID 118264148
5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 73295355
methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 134417562
N-(1-amino-2-methylpropylidene)-5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxamide
CID 118263663
3-O-ethyl 5-O-methyl 2-[4-[(2-hydroxycyclohexyl)amino]piperidin-1-yl]-6-methylpyridine-3,5-dicarboxylate
CID 2796048
N-(1-aminoethyl)-2-[4-(cyclohexylamino)piperidin-1-yl]-5-cyclopropylpyridine-3-carboxamide
CID 123519804
methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate
CID 118263729
methyl 5-cyano-2-(4-methoxypiperidin-1-yl)pyridine-3-carboxylate
CID 170906680

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate (CID 148579322) is methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate is COC(=O)c1cc(CC(C)=O)cnc1N1CCC(NC2CCCCC2)CC1.
What is the InChIKey of methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate?
The InChIKey is MYKTVLKTDVYYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(25)12-16-13-19(21(26)27-2)20(22-14-16)24-10-8-18(9-11-24)23-17-6-4-3-5-7-17/h13-14,17-18,23H,3-12H2,1-2H3.
What are the key properties of methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate?
methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate has a molecular weight of 373.50 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate is sourced from PubChem (CID 148579322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).