(2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride

C18H26ClN3O2 — CID 154915135

IUPAC(2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-12-14(18(23)21-10-4-5-11-21)7-8-15(13)20-17(22)16-6-2-3-9-19-16;/h7-8,12,16,19H,2-6,9-11H2,1H3,(H,20,22);1H/t16-;/m1./s1
InChIKeyCQPMTYLHVVXORD-PKLMIRHRSA-N
MW351.88 g/mol
LogP2.73
Rot. Bonds3

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

(2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 154915135) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is (2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID154915135
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name(2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1CCCCN1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-12-14(18(23)21-10-4-5-11-21)7-8-15(13)20-17(22)16-6-2-3-9-19-16;/h7-8,12,16,19H,2-6,9-11H2,1H3,(H,20,22);1H/t16-;/m1./s1
InChIKeyCQPMTYLHVVXORD-PKLMIRHRSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119310041
(3R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 131948570
(2R)-N-(4-acetamido-3-methylphenyl)piperidine-2-carboxamide
CID 103808431
N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119761439
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
(2S)-N-(5-fluoro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119674019
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride (CID 154915135) is (2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride is Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)[C@H]1CCCCN1.Cl.
What is the InChIKey of (2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is CQPMTYLHVVXORD-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-13-12-14(18(23)21-10-4-5-11-21)7-8-15(13)20-17(22)16-6-2-3-9-19-16;/h7-8,12,16,19H,2-6,9-11H2,1H3,(H,20,22);1H/t16-;/m1./s1.
What are the key properties of (2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride?
(2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 154915135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).