(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide

C19H21N5O — CID 97224827

IUPAC(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)Nc2cccc3cccnc23)C[C@H]1n1ccnc1
InChIInChI=1S/C19H21N5O/c1-14-7-10-23(12-17(14)24-11-9-20-13-24)19(25)22-16-6-2-4-15-5-3-8-21-18(15)16/h2-6,8-9,11,13-14,17H,7,10,12H2,1H3,(H,22,25)/t14-,17-/m1/s1
InChIKeyMZSJXBWJPHOZQV-RHSMWYFYSA-N
MW335.41 g/mol
LogP3.55
Rot. Bonds2

About (3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide

(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide (PubChem CID 97224827) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide
PubChem CID97224827
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)Nc2cccc3cccnc23)C[C@H]1n1ccnc1
InChIInChI=1S/C19H21N5O/c1-14-7-10-23(12-17(14)24-11-9-20-13-24)19(25)22-16-6-2-4-15-5-3-8-21-18(15)16/h2-6,8-9,11,13-14,17H,7,10,12H2,1H3,(H,22,25)/t14-,17-/m1/s1
InChIKeyMZSJXBWJPHOZQV-RHSMWYFYSA-N
XLogP3.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide with MolForge

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Related Compounds

5-[[(3S,4S)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-2-carboxamide
CID 124567981
4-acetamido-N-quinolin-8-ylpiperidine-1-carboxamide
CID 49468374
3-(cyclopropylmethoxy)-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 121022748
4-cyclopropyl-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113103496
(3S,4S)-3-imidazol-1-yl-4-methyl-N-(3-phenylcyclobutyl)piperidine-1-carboxamide
CID 125140956
(2S)-2-cyclopentyl-N-quinolin-8-ylpyrrolidine-1-carboxamide
CID 94652787
4-(3-methylbutyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 48782141
methyl 5-[[(3R,4R)-3-imidazol-1-yl-4-methylpiperidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615103
4-(cyclohexanecarbonylamino)-N-quinolin-8-ylpiperidine-1-carboxamide
CID 127145528
(2-fluoro-6-methylsulfanylphenyl)-[(3R,4R)-3-imidazol-1-yl-4-methylpiperidin-1-yl]methanone
CID 124873903
1-(3-methylbutanoyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008357
(3R,4S)-N-[2-(3,4-difluorophenyl)ethyl]-3-imidazol-1-yl-4-methylpiperidine-1-carboxamide
CID 124622207

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide?
The IUPAC name of (3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide (CID 97224827) is (3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide is C[C@@H]1CCN(C(=O)Nc2cccc3cccnc23)C[C@H]1n1ccnc1.
What is the InChIKey of (3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide?
The InChIKey is MZSJXBWJPHOZQV-RHSMWYFYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-7-10-23(12-17(14)24-11-9-20-13-24)19(25)22-16-6-2-4-15-5-3-8-21-18(15)16/h2-6,8-9,11,13-14,17H,7,10,12H2,1H3,(H,22,25)/t14-,17-/m1/s1.
What are the key properties of (3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide?
(3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-imidazol-1-yl-4-methyl-N-quinolin-8-ylpiperidine-1-carboxamide is sourced from PubChem (CID 97224827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).