N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride

C19H28ClN3O2 — CID 119375294

IUPACN-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O2.ClH/c20-17-9-11-22(12-10-17)19(24)16-7-5-14(6-8-16)13-21-18(23)15-3-1-2-4-15;/h5-8,15,17H,1-4,9-13,20H2,(H,21,23);1H
InChIKeyCKTBIHBSLWVLJH-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.48
Rot. Bonds4

About N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride

N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride (PubChem CID 119375294) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
PubChem CID119375294
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride
SMILESCl.NC1CCN(C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CC1
InChIInChI=1S/C19H27N3O2.ClH/c20-17-9-11-22(12-10-17)19(24)16-7-5-14(6-8-16)13-21-18(23)15-3-1-2-4-15;/h5-8,15,17H,1-4,9-13,20H2,(H,21,23);1H
InChIKeyCKTBIHBSLWVLJH-UHFFFAOYSA-N
XLogP2.48
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
N-[[4-(piperazine-1-carbonyl)phenyl]methyl]cyclohexanecarboxamide
CID 39162933
(2R)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]oxane-2-carboxamide
CID 125158287
3-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119694814
(3S,4S)-1-[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952414
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
N-[(4-carbamothioylphenyl)methyl]cyclooctanecarboxamide
CID 65018764
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(4-fluorobenzoyl)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46476068
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride?
The IUPAC name of N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride (CID 119375294) is N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride?
The canonical SMILES for N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride is Cl.NC1CCN(C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CC1.
What is the InChIKey of N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride?
The InChIKey is CKTBIHBSLWVLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c20-17-9-11-22(12-10-17)19(24)16-7-5-14(6-8-16)13-21-18(23)15-3-1-2-4-15;/h5-8,15,17H,1-4,9-13,20H2,(H,21,23);1H.
What are the key properties of N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride?
N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-aminopiperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide;hydrochloride is sourced from PubChem (CID 119375294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).