N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide

C23H27N3O2 — CID 27673222

IUPACN-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H27N3O2/c27-22(18-6-7-18)24-20-10-8-19(9-11-20)23(28)25-21-12-14-26(15-13-21)16-17-4-2-1-3-5-17/h1-5,8-11,18,21H,6-7,12-16H2,(H,24,27)(H,25,28)
InChIKeyGQBNDBVTLRXQCJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.43
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide

N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide (PubChem CID 27673222) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
PubChem CID27673222
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H27N3O2/c27-22(18-6-7-18)24-20-10-8-19(9-11-20)23(28)25-21-12-14-26(15-13-21)16-17-4-2-1-3-5-17/h1-5,8-11,18,21H,6-7,12-16H2,(H,24,27)(H,25,28)
InChIKeyGQBNDBVTLRXQCJ-UHFFFAOYSA-N
XLogP3.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
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N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-(cyclopropanecarbonylamino)benzamide
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N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
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N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
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CID 91278506

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide (CID 27673222) is N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide?
The InChIKey is GQBNDBVTLRXQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(18-6-7-18)24-20-10-8-19(9-11-20)23(28)25-21-12-14-26(15-13-21)16-17-4-2-1-3-5-17/h1-5,8-11,18,21H,6-7,12-16H2,(H,24,27)(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide?
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide has a molecular weight of 377.49 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide is sourced from PubChem (CID 27673222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).