1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide

C22H36N4O — CID 136512544

IUPAC1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide
SMILESCN(C)C1CCN(CCNC(=O)C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H36N4O/c1-24(2)21-10-15-25(16-11-21)17-12-23-22(27)20-8-13-26(14-9-20)18-19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3,(H,23,27)
InChIKeyFKUMKYVPSQYZBV-UHFFFAOYSA-N
MW372.56 g/mol
LogP2.04
Rot. Bonds7

About 1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide

1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide (PubChem CID 136512544) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide
PubChem CID136512544
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide
SMILESCN(C)C1CCN(CCNC(=O)C2CCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C22H36N4O/c1-24(2)21-10-15-25(16-11-21)17-12-23-22(27)20-8-13-26(14-9-20)18-19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3,(H,23,27)
InChIKeyFKUMKYVPSQYZBV-UHFFFAOYSA-N
XLogP2.04
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,6S)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(dimethylamino)-1-methylazepane-3-carboxamide
CID 165420728
1-benzyl-N-pentylpiperidine-4-carboxamide
CID 45011479
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119250204
1-benzyl-N-prop-2-enylpiperidine-4-carboxamide
CID 25246491
3-amino-N-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexane-1-carboxamide;trihydrochloride
CID 119900981
N-[2-(azepan-1-yl)ethyl]-1-[(1-benzylindol-2-yl)methyl]piperidine-4-carboxamide
CID 50807588
N-[2-(dimethylamino)ethyl]-1-[[4-(hydroxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 110009397
1-benzyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide;dihydrochloride
CID 120831634
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide (CID 136512544) is 1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide is CN(C)C1CCN(CCNC(=O)C2CCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide?
The InChIKey is FKUMKYVPSQYZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-24(2)21-10-15-25(16-11-21)17-12-23-22(27)20-8-13-26(14-9-20)18-19-6-4-3-5-7-19/h3-7,20-21H,8-18H2,1-2H3,(H,23,27).
What are the key properties of 1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide?
1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 136512544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).