N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide

C18H27N3O — CID 119567704

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESNCC1(NC(=O)c2cccc(CN3CCCC3)c2)CCCC1
InChIInChI=1S/C18H27N3O/c19-14-18(8-1-2-9-18)20-17(22)16-7-5-6-15(12-16)13-21-10-3-4-11-21/h5-7,12H,1-4,8-11,13-14,19H2,(H,20,22)
InChIKeyOFPPRPKUJBTZTK-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.28
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide

N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide (PubChem CID 119567704) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide
PubChem CID119567704
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide
SMILESNCC1(NC(=O)c2cccc(CN3CCCC3)c2)CCCC1
InChIInChI=1S/C18H27N3O/c19-14-18(8-1-2-9-18)20-17(22)16-7-5-6-15(12-16)13-21-10-3-4-11-21/h5-7,12H,1-4,8-11,13-14,19H2,(H,20,22)
InChIKeyOFPPRPKUJBTZTK-UHFFFAOYSA-N
XLogP2.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-hydroxybenzamide
CID 63754152
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
N-[1-(aminomethyl)cyclopentyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119567883
N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119997738
3-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzohydrazide
CID 107408896
N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119566322
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
3-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoic acid
CID 146134371
N-[1-(aminomethyl)cyclopentyl]-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119566321
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 120809683
2-[[3-(pyrrolidin-1-ylmethyl)benzoyl]amino]propanoic acid
CID 82043303

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide (CID 119567704) is N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide is NCC1(NC(=O)c2cccc(CN3CCCC3)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
The InChIKey is OFPPRPKUJBTZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c19-14-18(8-1-2-9-18)20-17(22)16-7-5-6-15(12-16)13-21-10-3-4-11-21/h5-7,12H,1-4,8-11,13-14,19H2,(H,20,22).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide?
N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide has a molecular weight of 301.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(pyrrolidin-1-ylmethyl)benzamide is sourced from PubChem (CID 119567704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).