1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide

C21H33N3O — CID 45171529

IUPAC1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
SMILESCCN(C)C(=O)C1CCCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H33N3O/c1-3-22(2)21(25)19-10-7-13-24(17-19)20-11-14-23(15-12-20)16-18-8-5-4-6-9-18/h4-6,8-9,19-20H,3,7,10-17H2,1-2H3
InChIKeyMFXGAUGCXVGWQV-UHFFFAOYSA-N
MW343.51 g/mol
LogP2.84
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide

1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide (PubChem CID 45171529) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
PubChem CID45171529
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
SMILESCCN(C)C(=O)C1CCCN(C2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C21H33N3O/c1-3-22(2)21(25)19-10-7-13-24(17-19)20-11-14-23(15-12-20)16-18-8-5-4-6-9-18/h4-6,8-9,19-20H,3,7,10-17H2,1-2H3
InChIKeyMFXGAUGCXVGWQV-UHFFFAOYSA-N
XLogP2.84
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56864333
(3S)-N-ethyl-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95463543
1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171232
azocan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone
CID 45192001
N-methyl-N-(pyridin-3-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70776101
azepan-1-yl-[1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanone;oxalic acid
CID 90483690
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
(3R)-N,N-diethyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95539498
(3R)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557690
(3S)-N-(cyclopropylmethyl)-N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96571064
methyl 1-[1-(1-benzylpiperidin-4-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 4657219
(3R)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95562765

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide (CID 45171529) is 1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide is CCN(C)C(=O)C1CCCN(C2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide?
The InChIKey is MFXGAUGCXVGWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-3-22(2)21(25)19-10-7-13-24(17-19)20-11-14-23(15-12-20)16-18-8-5-4-6-9-18/h4-6,8-9,19-20H,3,7,10-17H2,1-2H3.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide?
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide has a molecular weight of 343.51 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 45171529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).