N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119311457

IUPACN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12-3-2-4-14(11-12)19(10-7-15(17)20)16(21)13-5-8-18-9-6-13;/h2-4,11,13,18H,5-10H2,1H3,(H2,17,20);1H
InChIKeyMQKBWWBSUWRMHA-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.62
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride

N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119311457) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119311457
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCc1cccc(N(CCC(N)=O)C(=O)C2CCNCC2)c1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12-3-2-4-14(11-12)19(10-7-15(17)20)16(21)13-5-8-18-9-6-13;/h2-4,11,13,18H,5-10H2,1H3,(H2,17,20);1H
InChIKeyMQKBWWBSUWRMHA-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride (CID 119311457) is N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride is Cc1cccc(N(CCC(N)=O)C(=O)C2CCNCC2)c1.Cl.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is MQKBWWBSUWRMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-12-3-2-4-14(11-12)19(10-7-15(17)20)16(21)13-5-8-18-9-6-13;/h2-4,11,13,18H,5-10H2,1H3,(H2,17,20);1H.
What are the key properties of N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride?
N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119311457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).