N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide

C16H19BrN2O2 — CID 60758403

IUPACN-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2Br)CC1)C1CC1
InChIInChI=1S/C16H19BrN2O2/c17-14-4-2-1-3-13(14)16(21)19-9-7-12(8-10-19)18-15(20)11-5-6-11/h1-4,11-12H,5-10H2,(H,18,20)
InChIKeyBKKRCDOWOQZWAH-UHFFFAOYSA-N
MW351.24 g/mol
LogP2.58
Rot. Bonds3

About N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide

N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 60758403) has the molecular formula C16H19BrN2O2 and a molecular weight of 351.24 g/mol. Its IUPAC name is N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
PubChem CID60758403
Molecular FormulaC16H19BrN2O2
Molecular Weight351.24 g/mol
Exact Mass350.06
IUPAC NameN-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2ccccc2Br)CC1)C1CC1
InChIInChI=1S/C16H19BrN2O2/c17-14-4-2-1-3-13(14)16(21)19-9-7-12(8-10-19)18-15(20)11-5-6-11/h1-4,11-12H,5-10H2,(H,18,20)
InChIKeyBKKRCDOWOQZWAH-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
N-[1-(2-bromobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 108557809
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
1-(2-bromobenzoyl)-N-tert-butylpiperidine-4-carboxamide
CID 39594396
N-[1-(2-bromobenzoyl)piperidin-4-yl]-4-oxopentanamide
CID 108558019
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820345
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
N-[1-(2-bromobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549654
N-[2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 46446186
1-(2-chlorobenzoyl)-N-cyclohexylpiperidine-4-carboxamide
CID 1072829

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide (CID 60758403) is N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(C(=O)c2ccccc2Br)CC1)C1CC1.
What is the InChIKey of N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is BKKRCDOWOQZWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2/c17-14-4-2-1-3-13(14)16(21)19-9-7-12(8-10-19)18-15(20)11-5-6-11/h1-4,11-12H,5-10H2,(H,18,20).
What are the key properties of N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide?
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 351.24 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 60758403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).