1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

C18H26ClN3O2 — CID 119759271

IUPAC1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C3(N)CC3)CC2)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-2-4-14(5-3-13)12-20-16(22)15-6-10-21(11-7-15)17(23)18(19)8-9-18;/h2-5,15H,6-12,19H2,1H3,(H,20,22);1H
InChIKeyDFCWKABSXGPQND-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.76
Rot. Bonds4

About 1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride

1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119759271) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119759271
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCc1ccc(CNC(=O)C2CCN(C(=O)C3(N)CC3)CC2)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-2-4-14(5-3-13)12-20-16(22)15-6-10-21(11-7-15)17(23)18(19)8-9-18;/h2-5,15H,6-12,19H2,1H3,(H,20,22);1H
InChIKeyDFCWKABSXGPQND-UHFFFAOYSA-N
XLogP1.76
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxypiperidine-4-carbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759309
1-[2-(4-aminophenyl)acetyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759278
1-[(2S)-2-amino-4-methylpentanoyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759325
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
N-[(4-methoxyphenyl)methyl]-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004350
1-(3-aminobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 119759304
1-(1-aminocyclopropanecarbonyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119720581
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
1-N-[(4-ethylcyclohexyl)methyl]-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 166322196
1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 87020609
1-(3,4-difluorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 113004061
1-[4-(aminomethyl)oxane-4-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120924366

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119759271) is 1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is Cc1ccc(CNC(=O)C2CCN(C(=O)C3(N)CC3)CC2)cc1.Cl.
What is the InChIKey of 1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is DFCWKABSXGPQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-13-2-4-14(5-3-13)12-20-16(22)15-6-10-21(11-7-15)17(23)18(19)8-9-18;/h2-5,15H,6-12,19H2,1H3,(H,20,22);1H.
What are the key properties of 1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride?
1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119759271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).