N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride

C17H26Cl2N4O3 — CID 119856261

IUPACN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCCN1Cc1cccc(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C17H24N4O3.2ClH/c18-16(22)14-5-2-7-21(14)11-12-3-1-4-13(9-12)20-17(23)15-10-19-6-8-24-15;;/h1,3-4,9,14-15,19H,2,5-8,10-11H2,(H2,18,22)(H,20,23);2*1H
InChIKeyPPUGWJNQUSPFPN-UHFFFAOYSA-N
MW405.33 g/mol
LogP0.91
Rot. Bonds5

About N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride

N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119856261) has the molecular formula C17H26Cl2N4O3 and a molecular weight of 405.33 g/mol. Its IUPAC name is N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119856261
Molecular FormulaC17H26Cl2N4O3
Molecular Weight405.33 g/mol
Exact Mass404.14
IUPAC NameN-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1CCCN1Cc1cccc(NC(=O)C2CNCCO2)c1
InChIInChI=1S/C17H24N4O3.2ClH/c18-16(22)14-5-2-7-21(14)11-12-3-1-4-13(9-12)20-17(23)15-10-19-6-8-24-15;;/h1,3-4,9,14-15,19H,2,5-8,10-11H2,(H2,18,22)(H,20,23);2*1H
InChIKeyPPUGWJNQUSPFPN-UHFFFAOYSA-N
XLogP0.91
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[3-(pyrrolidine-2-carbonylamino)phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119856251
N-(3-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119675709
N-[3-(carbamoylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119702027
1-[[3-[(2-amino-2-methylpentanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 119856274
1-[[3-[[4-(aminomethyl)oxane-4-carbonyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120939593
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120643884
1-[[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068938
(2S)-1-[[3-[(3,5-dimethylbenzoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52507478
1-[[3-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55985629
N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119743730
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119844969
1-[[3-(hexanoylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 47068937

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride (CID 119856261) is N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1CCCN1Cc1cccc(NC(=O)C2CNCCO2)c1.
What is the InChIKey of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is PPUGWJNQUSPFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3.2ClH/c18-16(22)14-5-2-7-21(14)11-12-3-1-4-13(9-12)20-17(23)15-10-19-6-8-24-15;;/h1,3-4,9,14-15,19H,2,5-8,10-11H2,(H2,18,22)(H,20,23);2*1H.
What are the key properties of N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride?
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 405.33 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119856261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).