(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide

C18H27N3O2 — CID 94392069

IUPAC(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C18H27N3O2/c1-4-10-19-17(22)15-8-6-11-21(13-15)18(23)14-7-5-9-16(12-14)20(2)3/h5,7,9,12,15H,4,6,8,10-11,13H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyOORUEJWARXUEFB-HNNXBMFYSA-N
MW317.43 g/mol
LogP2.13
Rot. Bonds5

About (3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide

(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide (PubChem CID 94392069) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide
PubChem CID94392069
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1
InChIInChI=1S/C18H27N3O2/c1-4-10-19-17(22)15-8-6-11-21(13-15)18(23)14-7-5-9-16(12-14)20(2)3/h5,7,9,12,15H,4,6,8,10-11,13H2,1-3H3,(H,19,22)/t15-/m0/s1
InChIKeyOORUEJWARXUEFB-HNNXBMFYSA-N
XLogP2.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041690
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
1-benzoyl-N-octylpiperidine-3-carboxamide
CID 70028584
1-(3,5-dimethylbenzoyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 55789576
N-(2-aminoethyl)-1-(3-ethoxybenzoyl)piperidine-3-carboxamide
CID 119481465
1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
CID 49403077
N-(2-aminoethyl)-1-[3-(dimethylcarbamoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481452
(3R)-1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 92729051
1-[4-(propanoylamino)benzoyl]-N-propylpiperidine-3-carboxamide
CID 46384498
N-propyl-1-(3,4,5-trimethoxybenzoyl)piperidine-3-carboxamide
CID 49402246
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide (CID 94392069) is (3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1.
What is the InChIKey of (3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide?
The InChIKey is OORUEJWARXUEFB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-10-19-17(22)15-8-6-11-21(13-15)18(23)14-7-5-9-16(12-14)20(2)3/h5,7,9,12,15H,4,6,8,10-11,13H2,1-3H3,(H,19,22)/t15-/m0/s1.
What are the key properties of (3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide?
(3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-(dimethylamino)benzoyl]-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 94392069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).