(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride

C19H28Cl2N4O — CID 119894609

IUPAC(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)[C@H]3CCCCN3)cc2)n1.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-13-12-14(2)23(22-13)17-9-7-16(8-10-17)15(3)21-19(24)18-6-4-5-11-20-18;;/h7-10,12,15,18,20H,4-6,11H2,1-3H3,(H,21,24);2*1H/t15?,18-;;/m1../s1
InChIKeyQUZMMDBBEBGJBS-STOGEKMYSA-N
MW399.37 g/mol
LogP3.65
Rot. Bonds4

About (2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119894609) has the molecular formula C19H28Cl2N4O and a molecular weight of 399.37 g/mol. Its IUPAC name is (2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119894609
Molecular FormulaC19H28Cl2N4O
Molecular Weight399.37 g/mol
Exact Mass398.16
IUPAC Name(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)[C@H]3CCCCN3)cc2)n1.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-13-12-14(2)23(22-13)17-9-7-16(8-10-17)15(3)21-19(24)18-6-4-5-11-20-18;;/h7-10,12,15,18,20H,4-6,11H2,1-3H3,(H,21,24);2*1H/t15?,18-;;/m1../s1
InChIKeyQUZMMDBBEBGJBS-STOGEKMYSA-N
XLogP3.65
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2R,3S)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942394
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide
CID 119894662
N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119897640
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 119894640
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride (CID 119894609) is (2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride is Cc1cc(C)n(-c2ccc(C(C)NC(=O)[C@H]3CCCCN3)cc2)n1.Cl.Cl.
What is the InChIKey of (2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is QUZMMDBBEBGJBS-STOGEKMYSA-N. The full InChI is InChI=1S/C19H26N4O.2ClH/c1-13-12-14(2)23(22-13)17-9-7-16(8-10-17)15(3)21-19(24)18-6-4-5-11-20-18;;/h7-10,12,15,18,20H,4-6,11H2,1-3H3,(H,21,24);2*1H/t15?,18-;;/m1../s1.
What are the key properties of (2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 399.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119894609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).