1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide

C19H23BrN2O3 — CID 49403974

IUPAC1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(CCC(=O)N1CCCC(C(=O)NC2CC2)C1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3/c20-15-5-3-13(4-6-15)17(23)9-10-18(24)22-11-1-2-14(12-22)19(25)21-16-7-8-16/h3-6,14,16H,1-2,7-12H2,(H,21,25)
InChIKeyGMHJRSBHNJNOBB-UHFFFAOYSA-N
MW407.31 g/mol
LogP2.93
Rot. Bonds6

About 1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide

1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 49403974) has the molecular formula C19H23BrN2O3 and a molecular weight of 407.31 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID49403974
Molecular FormulaC19H23BrN2O3
Molecular Weight407.31 g/mol
Exact Mass406.09
IUPAC Name1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESO=C(CCC(=O)N1CCCC(C(=O)NC2CC2)C1)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O3/c20-15-5-3-13(4-6-15)17(23)9-10-18(24)22-11-1-2-14(12-22)19(25)21-16-7-8-16/h3-6,14,16H,1-2,7-12H2,(H,21,25)
InChIKeyGMHJRSBHNJNOBB-UHFFFAOYSA-N
XLogP2.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide
CID 49351109
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
1-(2-cyclopentylacetyl)-N-cyclopropylpiperidine-3-carboxamide
CID 71935025
(3S)-1-(3-phenylpropanoyl)-N-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]piperidine-3-carboxamide
CID 102220745
N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide
CID 119482116
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
N-(1-acetylpiperidin-4-yl)-4-(4-bromophenyl)-4-oxobutanamide
CID 51203664
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49403554
N-[1-[4-(4-bromophenyl)-4-oxobutanoyl]piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 60607207
N-(1-benzylpiperidin-4-yl)-1-butanoylpiperidine-3-carboxamide
CID 55882707

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide (CID 49403974) is 1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide is O=C(CCC(=O)N1CCCC(C(=O)NC2CC2)C1)c1ccc(Br)cc1.
What is the InChIKey of 1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is GMHJRSBHNJNOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O3/c20-15-5-3-13(4-6-15)17(23)9-10-18(24)22-11-1-2-14(12-22)19(25)21-16-7-8-16/h3-6,14,16H,1-2,7-12H2,(H,21,25).
What are the key properties of 1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide?
1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 407.31 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-4-oxobutanoyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 49403974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).