N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride

C15H22ClN3O2 — CID 67239714

IUPACN-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CCNC2)cc1)N1CCOCC1
InChIInChI=1S/C15H21N3O2.ClH/c19-15(18-7-9-20-10-8-18)17-14-3-1-12(2-4-14)13-5-6-16-11-13;/h1-4,13,16H,5-11H2,(H,17,19);1H
InChIKeyHLQLMROQJUZXGS-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.05
Rot. Bonds2

About N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride

N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride (PubChem CID 67239714) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride
PubChem CID67239714
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(C2CCNC2)cc1)N1CCOCC1
InChIInChI=1S/C15H21N3O2.ClH/c19-15(18-7-9-20-10-8-18)17-14-3-1-12(2-4-14)13-5-6-16-11-13;/h1-4,13,16H,5-11H2,(H,17,19);1H
InChIKeyHLQLMROQJUZXGS-UHFFFAOYSA-N
XLogP2.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 67238951
3-[4-(1,4-oxazepane-4-carbonylamino)phenyl]prop-2-enoic acid
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4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
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N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
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N-(4-iodophenyl)piperazine-1-carboxamide;hydrochloride
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N-[4-(methylcarbamoyl)phenyl]morpholine-4-carboxamide
CID 47033018
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
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N-[4-(morpholine-4-carbonyl)phenyl]morpholine-2-carboxamide;hydrochloride
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1-methyl-1-phenyl-3-[4-[(3S)-pyrrolidin-3-yl]phenyl]urea
CID 124566450

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride (CID 67239714) is N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(C2CCNC2)cc1)N1CCOCC1.
What is the InChIKey of N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride?
The InChIKey is HLQLMROQJUZXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c19-15(18-7-9-20-10-8-18)17-14-3-1-12(2-4-14)13-5-6-16-11-13;/h1-4,13,16H,5-11H2,(H,17,19);1H.
What are the key properties of N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride?
N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-3-ylphenyl)morpholine-4-carboxamide;hydrochloride is sourced from PubChem (CID 67239714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).