(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

C18H27N5O2 — CID 124588249

IUPAC(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn([C@@H]2CCCN(C(=O)NC[C@@H](C)c3c(C)noc3C)C2)c1
InChIInChI=1S/C18H27N5O2/c1-12-8-20-23(10-12)16-6-5-7-22(11-16)18(24)19-9-13(2)17-14(3)21-25-15(17)4/h8,10,13,16H,5-7,9,11H2,1-4H3,(H,19,24)/t13-,16-/m1/s1
InChIKeyLIZYUYYWTUYRCA-CZUORRHYSA-N
MW345.45 g/mol
LogP2.95
Rot. Bonds4

About (3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (PubChem CID 124588249) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is (3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
PubChem CID124588249
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn([C@@H]2CCCN(C(=O)NC[C@@H](C)c3c(C)noc3C)C2)c1
InChIInChI=1S/C18H27N5O2/c1-12-8-20-23(10-12)16-6-5-7-22(11-16)18(24)19-9-13(2)17-14(3)21-25-15(17)4/h8,10,13,16H,5-7,9,11H2,1-4H3,(H,19,24)/t13-,16-/m1/s1
InChIKeyLIZYUYYWTUYRCA-CZUORRHYSA-N
XLogP2.95
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 124568412
(3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 97073545
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 167943119
N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 122137381
1-cyclopentyl-N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-5-methylpyrazole-4-carboxamide
CID 99606970
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 166202868
(3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124557774
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-1-one
CID 95761478
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111174169
N-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-oxo-4-propyl-1,4-diazepane-1-carboxamide
CID 99830188

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (CID 124588249) is (3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is Cc1cnn([C@@H]2CCCN(C(=O)NC[C@@H](C)c3c(C)noc3C)C2)c1.
What is the InChIKey of (3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The InChIKey is LIZYUYYWTUYRCA-CZUORRHYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-12-8-20-23(10-12)16-6-5-7-22(11-16)18(24)19-9-13(2)17-14(3)21-25-15(17)4/h8,10,13,16H,5-7,9,11H2,1-4H3,(H,19,24)/t13-,16-/m1/s1.
What are the key properties of (3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124588249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).