N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide

C21H33N3O — CID 119602815

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1CN)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H33N3O/c1-16(21(25)23-20-9-5-8-19(20)15-22)24-12-10-18(11-13-24)14-17-6-3-2-4-7-17/h2-4,6-7,16,18-20H,5,8-15,22H2,1H3,(H,23,25)
InChIKeyRZCJCFFMYALVMB-UHFFFAOYSA-N
MW343.51 g/mol
LogP2.57
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide

N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide (PubChem CID 119602815) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide
PubChem CID119602815
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCC1CN)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H33N3O/c1-16(21(25)23-20-9-5-8-19(20)15-22)24-12-10-18(11-13-24)14-17-6-3-2-4-7-17/h2-4,6-7,16,18-20H,5,8-15,22H2,1H3,(H,23,25)
InChIKeyRZCJCFFMYALVMB-UHFFFAOYSA-N
XLogP2.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 119383721
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
2-(4-benzylpiperidin-1-yl)-N-[(3S,4S)-4-methoxyoxolan-3-yl]propanamide
CID 146081478
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119601158
2-(4-benzylpiperidin-1-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120599103
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
N-[2-(aminomethyl)cyclopentyl]-3-methyl-2-phenylbutanamide;hydrochloride
CID 119601012
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046
[(2S)-1-amino-1-oxopropan-2-yl] (2R)-2-(4-benzylpiperidin-1-yl)propanoate
CID 95309429
4-[2-(4-benzylpiperidin-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 136524901
1-(azepan-1-yl)-2-(4-benzylpiperidin-1-yl)propan-1-one
CID 13345092

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide (CID 119602815) is N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide is CC(C(=O)NC1CCCC1CN)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide?
The InChIKey is RZCJCFFMYALVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-16(21(25)23-20-9-5-8-19(20)15-22)24-12-10-18(11-13-24)14-17-6-3-2-4-7-17/h2-4,6-7,16,18-20H,5,8-15,22H2,1H3,(H,23,25).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide?
N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide has a molecular weight of 343.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(4-benzylpiperidin-1-yl)propanamide is sourced from PubChem (CID 119602815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).