N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

C19H29N3O3S — CID 119565800

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESNCC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCCC1
InChIInChI=1S/C19H29N3O3S/c20-15-19(10-2-3-11-19)21-18(23)14-16-6-8-17(9-7-16)26(24,25)22-12-4-1-5-13-22/h6-9H,1-5,10-15,20H2,(H,21,23)
InChIKeyBQNDRXPQPCJLSU-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.79
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide

N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 119565800) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID119565800
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESNCC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCCC1
InChIInChI=1S/C19H29N3O3S/c20-15-19(10-2-3-11-19)21-18(23)14-16-6-8-17(9-7-16)26(24,25)22-12-4-1-5-13-22/h6-9H,1-5,10-15,20H2,(H,21,23)
InChIKeyBQNDRXPQPCJLSU-UHFFFAOYSA-N
XLogP1.79
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 119566064
N-[1-(aminomethyl)cyclopentyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119566169
N-[1-(aminomethyl)cyclopentyl]-2-(4-phenylphenyl)acetamide
CID 119564798
2-(4-piperidin-1-ylsulfonylphenyl)ethanethioamide
CID 79186250
N-(5-chloro-2-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51188709
N-[1-(aminomethyl)cyclopentyl]-1-methyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide;hydrochloride
CID 119565471
N-[1-(aminomethyl)cyclopentyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 119566852
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
N-(2-aminophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 119422117
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119606419
N-(2-methoxyethyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9399959
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylphenyl)acetamide
CID 1291427

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 119565800) is N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is NCC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is BQNDRXPQPCJLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c20-15-19(10-2-3-11-19)21-18(23)14-16-6-8-17(9-7-16)26(24,25)22-12-4-1-5-13-22/h6-9H,1-5,10-15,20H2,(H,21,23).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide?
N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 379.53 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 119565800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).