N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

C18H26ClN3O2 — CID 119283670

IUPACN-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)C2CCCN2)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-5-2-3-12-21(13)18(23)14-7-9-15(10-8-14)20-17(22)16-6-4-11-19-16;/h7-10,13,16,19H,2-6,11-12H2,1H3,(H,20,22);1H
InChIKeyGKDHSLNZMDKRSY-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.81
Rot. Bonds3

About N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride

N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119283670) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119283670
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)C2CCCN2)cc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-5-2-3-12-21(13)18(23)14-7-9-15(10-8-14)20-17(22)16-6-4-11-19-16;/h7-10,13,16,19H,2-6,11-12H2,1H3,(H,20,22);1H
InChIKeyGKDHSLNZMDKRSY-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
cis-(1S,3R)-2,2-dimethyl-3-[[4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122065358
(2R)-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide
CID 93029701
2-(cyclopropylmethylamino)-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119712985
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
(2R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119684891
3-amino-N-[4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119712991
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(2R)-N-[4-(azepan-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 103813730

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119283670) is N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is CC1CCCCN1C(=O)c1ccc(NC(=O)C2CCCN2)cc1.Cl.
What is the InChIKey of N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is GKDHSLNZMDKRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-13-5-2-3-12-21(13)18(23)14-7-9-15(10-8-14)20-17(22)16-6-4-11-19-16;/h7-10,13,16,19H,2-6,11-12H2,1H3,(H,20,22);1H.
What are the key properties of N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119283670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).