1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide

C19H27BrN2O2 — CID 113005883

IUPAC1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C19H27BrN2O2/c1-3-10-21(11-4-2)18(23)15-8-12-22(13-9-15)19(24)16-6-5-7-17(20)14-16/h5-7,14-15H,3-4,8-13H2,1-2H3
InChIKeyFSEVHUXIMRZQHA-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.95
Rot. Bonds6

About 1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide

1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide (PubChem CID 113005883) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
PubChem CID113005883
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC Name1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C19H27BrN2O2/c1-3-10-21(11-4-2)18(23)15-8-12-22(13-9-15)19(24)16-6-5-7-17(20)14-16/h5-7,14-15H,3-4,8-13H2,1-2H3
InChIKeyFSEVHUXIMRZQHA-UHFFFAOYSA-N
XLogP3.95
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113005906
1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005882
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
1-(4-methoxybenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005887
3-(4-methylpiperidine-1-carbonyl)-N,N-dipropylbenzamide
CID 109052323
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one
CID 110603342
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241
(3-bromophenyl)-[4-[3-(dimethylamino)propyl]piperazin-1-yl]methanone
CID 113073783
2-[3-(piperidine-1-carbonyl)anilino]-N,N-dipropylacetamide
CID 54843676
2-[3-(azepane-1-carbonyl)anilino]-N,N-dipropylacetamide
CID 54841399
[3-(bromomethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 80667449
(3-bromophenyl)-(3-bromopyrrolidin-1-yl)methanone
CID 80677696

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide (CID 113005883) is 1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide is CCCN(CCC)C(=O)C1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide?
The InChIKey is FSEVHUXIMRZQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c1-3-10-21(11-4-2)18(23)15-8-12-22(13-9-15)19(24)16-6-5-7-17(20)14-16/h5-7,14-15H,3-4,8-13H2,1-2H3.
What are the key properties of 1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide?
1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide is sourced from PubChem (CID 113005883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).