(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

C16H31N3O — CID 7047247

IUPAC(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C16H31N3O/c1-4-18(5-2)16(20)14-7-6-10-19(13-14)15-8-11-17(3)12-9-15/h14-15H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyPPCBIZLRRZTOBD-AWEZNQCLSA-N
MW281.44 g/mol
LogP1.66
Rot. Bonds4

About (3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 7047247) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is (3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID7047247
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C16H31N3O/c1-4-18(5-2)16(20)14-7-6-10-19(13-14)15-8-11-17(3)12-9-15/h14-15H,4-13H2,1-3H3/t14-/m0/s1
InChIKeyPPCBIZLRRZTOBD-AWEZNQCLSA-N
XLogP1.66
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406
(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 3162006
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 56871099
(3R)-N,N-diethyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95539498
(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 97135426
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 97135425
(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
CID 25124946
(3R)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 97127259
(3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 95553467
(3R)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 25377204

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 7047247) is (3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CCCN(C2CCN(C)CC2)C1.
What is the InChIKey of (3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is PPCBIZLRRZTOBD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-18(5-2)16(20)14-7-6-10-19(13-14)15-8-11-17(3)12-9-15/h14-15H,4-13H2,1-3H3/t14-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 7047247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).