1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide

C19H27BrN2O2 — CID 113005882

IUPAC1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C19H27BrN2O2/c1-3-11-21(12-4-2)18(23)15-9-13-22(14-10-15)19(24)16-7-5-6-8-17(16)20/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeySJOHRJBHUMFVRY-UHFFFAOYSA-N
MW395.34 g/mol
LogP3.95
Rot. Bonds6

About 1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide

1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide (PubChem CID 113005882) has the molecular formula C19H27BrN2O2 and a molecular weight of 395.34 g/mol. Its IUPAC name is 1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
PubChem CID113005882
Molecular FormulaC19H27BrN2O2
Molecular Weight395.34 g/mol
Exact Mass394.13
IUPAC Name1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
SMILESCCCN(CCC)C(=O)C1CCN(C(=O)c2ccccc2Br)CC1
InChIInChI=1S/C19H27BrN2O2/c1-3-11-21(12-4-2)18(23)15-9-13-22(14-10-15)19(24)16-7-5-6-8-17(16)20/h5-8,15H,3-4,9-14H2,1-2H3
InChIKeySJOHRJBHUMFVRY-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

1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005883
(2-bromophenyl)-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]methanone
CID 87011264
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113005906
1-(4-methoxybenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005887
1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide
CID 39594396
(2-bromophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60776073
1-[4-(2-bromobenzoyl)piperazin-1-yl]propan-1-one
CID 52867615
N-[1-(2-bromobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60767390
1-(cyclopropanecarbonyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005873
(2-bromophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 60954591

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide (CID 113005882) is 1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide is CCCN(CCC)C(=O)C1CCN(C(=O)c2ccccc2Br)CC1.
What is the InChIKey of 1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide?
The InChIKey is SJOHRJBHUMFVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O2/c1-3-11-21(12-4-2)18(23)15-9-13-22(14-10-15)19(24)16-7-5-6-8-17(16)20/h5-8,15H,3-4,9-14H2,1-2H3.
What are the key properties of 1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide?
1-(2-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-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide is sourced from PubChem (CID 113005882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).