(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

C21H33N3O — CID 28822083

IUPAC(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)[C@H]1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C21H33N3O/c1-3-23(16-18-8-5-4-6-9-18)21(25)19-10-7-13-24(17-19)20-11-14-22(2)15-12-20/h4-6,8-9,19-20H,3,7,10-17H2,1-2H3/t19-/m0/s1
InChIKeyZQIJEFBSKBFRKA-IBGZPJMESA-N
MW343.51 g/mol
LogP2.84
Rot. Bonds5

About (3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide

(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 28822083) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is (3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID28822083
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)[C@H]1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C21H33N3O/c1-3-23(16-18-8-5-4-6-9-18)21(25)19-10-7-13-24(17-19)20-11-14-22(2)15-12-20/h4-6,8-9,19-20H,3,7,10-17H2,1-2H3/t19-/m0/s1
InChIKeyZQIJEFBSKBFRKA-IBGZPJMESA-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

(3S)-N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 7047247
N,N-diethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 6456406
(3R)-N,N-diethyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 26458414
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344215
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529
(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
(3R)-N-cyclopropyl-1-(1-methylpiperidin-4-yl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
CID 95553467
(3S)-1-[1-(anthracene-9-carbonyl)piperidin-4-yl]-N,N-diethylpiperidine-3-carboxamide
CID 25124946
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 56871099

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 28822083) is (3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is CCN(Cc1ccccc1)C(=O)[C@H]1CCCN(C2CCN(C)CC2)C1.
What is the InChIKey of (3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is ZQIJEFBSKBFRKA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H33N3O/c1-3-23(16-18-8-5-4-6-9-18)21(25)19-10-7-13-24(17-19)20-11-14-22(2)15-12-20/h4-6,8-9,19-20H,3,7,10-17H2,1-2H3/t19-/m0/s1.
What are the key properties of (3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide?
(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-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 (3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 28822083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).