ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate

C21H35N3O2 — CID 144575641

IUPACethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
SMILESCC.COC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C19H29N3O2.C2H6/c1-14-12-17(19(23)24-2)18(20-13-14)22-10-8-16(9-11-22)21-15-6-4-3-5-7-15;1-2/h12-13,15-16,21H,3-11H2,1-2H3;1-2H3
InChIKeyHDEDWIYJLNWMPK-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.09
Rot. Bonds4

About ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate

ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate (PubChem CID 144575641) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
PubChem CID144575641
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Nameethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
SMILESCC.COC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)CC1
InChIInChI=1S/C19H29N3O2.C2H6/c1-14-12-17(19(23)24-2)18(20-13-14)22-10-8-16(9-11-22)21-15-6-4-3-5-7-15;1-2/h12-13,15-16,21H,3-11H2,1-2H3;1-2H3
InChIKeyHDEDWIYJLNWMPK-UHFFFAOYSA-N
XLogP4.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-(2-oxopropyl)pyridine-3-carboxylate
CID 148579322
methyl 5-chloro-2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 118263623
propyl 5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 129253306
methyl 5-bromo-2-[(3S,4S)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]pyridine-3-carboxylate
CID 118264148
1-(5-bromo-3-methoxycarbonyl-2-pyridinyl)-4-(cycloheptylamino)piperidine-3-carboxylic acid
CID 139325130
5-bromo-2-[4-(cyclohexylamino)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 73295355
N-(1-aminoethyl)-2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123966369
methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5,6-dimethylpyridine-3-carboxylate
CID 118263729
2-[4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-N-ethanimidoyl-5-methylpyridine-3-carboxamide
CID 149051942
N-[amino(cyclopropyl)methylidene]-2-[(3S,4R)-4-(cyclohexylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 118263971
N-(1-aminoethyl)-2-[4-(cyclopentylamino)-3-methoxypiperidin-1-yl]-5-methylpyridine-3-carboxamide
CID 123692323
N-cyclohexyl-1-[5-methyl-3-(1H-pyrazol-5-yl)-2-pyridinyl]piperidin-4-amine
CID 123958418

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate?
The IUPAC name of ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate (CID 144575641) is ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate.
What is the SMILES notation for ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate?
The canonical SMILES for ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate is CC.COC(=O)c1cc(C)cnc1N1CCC(NC2CCCCC2)CC1.
What is the InChIKey of ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate?
The InChIKey is HDEDWIYJLNWMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.C2H6/c1-14-12-17(19(23)24-2)18(20-13-14)22-10-8-16(9-11-22)21-15-6-4-3-5-7-15;1-2/h12-13,15-16,21H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate?
ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate has a molecular weight of 361.53 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate is sourced from PubChem (CID 144575641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).