(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide

C17H26N4O2 — CID 28733147

IUPAC(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
SMILESCN(C)c1ccccc1C(=O)NCCN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C17H26N4O2/c1-20(2)15-8-4-3-7-14(15)17(23)19-9-11-21-10-5-6-13(12-21)16(18)22/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H2,18,22)(H,19,23)/t13-/m0/s1
InChIKeyLELPRFVTIVXSHZ-ZDUSSCGKSA-N
MW318.42 g/mol
LogP0.68
Rot. Bonds6

About (3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide

(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide (PubChem CID 28733147) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
PubChem CID28733147
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
SMILESCN(C)c1ccccc1C(=O)NCCN1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C17H26N4O2/c1-20(2)15-8-4-3-7-14(15)17(23)19-9-11-21-10-5-6-13(12-21)16(18)22/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H2,18,22)(H,19,23)/t13-/m0/s1
InChIKeyLELPRFVTIVXSHZ-ZDUSSCGKSA-N
XLogP0.68
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
CID 95350170
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-4-phenylpyrimidine-5-carboxamide
CID 77084193
1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide
CID 51134727
1-[2-[[4-(methoxymethyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 74246457
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 74251449
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
CID 77096074
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 74248067
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide (CID 28733147) is (3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide is CN(C)c1ccccc1C(=O)NCCN1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide?
The InChIKey is LELPRFVTIVXSHZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-20(2)15-8-4-3-7-14(15)17(23)19-9-11-21-10-5-6-13(12-21)16(18)22/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H2,18,22)(H,19,23)/t13-/m0/s1.
What are the key properties of (3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide?
(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 28733147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).