4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide

C21H31N3O2 — CID 119557704

IUPAC4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C21H31N3O2/c25-20(23-13-11-16-4-3-12-22-14-16)19-9-7-17(8-10-19)15-24-21(26)18-5-1-2-6-18/h7-10,16,18,22H,1-6,11-15H2,(H,23,25)(H,24,26)
InChIKeyMDRFYJPSWJHEBT-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.61
Rot. Bonds7

About 4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide

4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide (PubChem CID 119557704) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide
PubChem CID119557704
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide
SMILESO=C(NCCC1CCCNC1)c1ccc(CNC(=O)C2CCCC2)cc1
InChIInChI=1S/C21H31N3O2/c25-20(23-13-11-16-4-3-12-22-14-16)19-9-7-17(8-10-19)15-24-21(26)18-5-1-2-6-18/h7-10,16,18,22H,1-6,11-15H2,(H,23,25)(H,24,26)
InChIKeyMDRFYJPSWJHEBT-UHFFFAOYSA-N
XLogP2.61
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452392
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
N-(2-piperidin-3-ylethyl)-4-(1H-pyrrole-3-carbonyl)benzamide;hydrochloride
CID 119559628
4-[[ethyl(propan-2-yl)amino]methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557132
N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 119557493
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557065
4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119559215

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide?
The IUPAC name of 4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide (CID 119557704) is 4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide.
What is the SMILES notation for 4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide?
The canonical SMILES for 4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide is O=C(NCCC1CCCNC1)c1ccc(CNC(=O)C2CCCC2)cc1.
What is the InChIKey of 4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide?
The InChIKey is MDRFYJPSWJHEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c25-20(23-13-11-16-4-3-12-22-14-16)19-9-7-17(8-10-19)15-24-21(26)18-5-1-2-6-18/h7-10,16,18,22H,1-6,11-15H2,(H,23,25)(H,24,26).
What are the key properties of 4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide?
4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide has a molecular weight of 357.50 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide is sourced from PubChem (CID 119557704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).