N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride

C15H22ClN3O3 — CID 119294944

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)CCOc1ccc(NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C15H21N3O3.ClH/c16-14(19)7-10-21-13-3-1-12(2-4-13)18-15(20)11-5-8-17-9-6-11;/h1-4,11,17H,5-10H2,(H2,16,19)(H,18,20);1H
InChIKeyOUTPCPGQHRJMOL-UHFFFAOYSA-N
MW327.81 g/mol
LogP1.30
Rot. Bonds6

About N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride

N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119294944) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119294944
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)CCOc1ccc(NC(=O)C2CCNCC2)cc1
InChIInChI=1S/C15H21N3O3.ClH/c16-14(19)7-10-21-13-3-1-12(2-4-13)18-15(20)11-5-8-17-9-6-11;/h1-4,11,17H,5-10H2,(H2,16,19)(H,18,20);1H
InChIKeyOUTPCPGQHRJMOL-UHFFFAOYSA-N
XLogP1.30
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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4-amino-N-[4-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride (CID 119294944) is N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride is Cl.NC(=O)CCOc1ccc(NC(=O)C2CCNCC2)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is OUTPCPGQHRJMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3.ClH/c16-14(19)7-10-21-13-3-1-12(2-4-13)18-15(20)11-5-8-17-9-6-11;/h1-4,11,17H,5-10H2,(H2,16,19)(H,18,20);1H.
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride?
N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 327.81 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119294944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).