(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide

C22H29N3O3 — CID 95139458

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide
SMILESCc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](C)c1c(C)noc1C
InChIInChI=1S/C22H29N3O3/c1-13-12-18(22(27)25-11-7-6-8-14(25)2)9-10-19(13)23-21(26)15(3)20-16(4)24-28-17(20)5/h9-10,12,14-15H,6-8,11H2,1-5H3,(H,23,26)/t14-,15+/m0/s1
InChIKeyFQWLKERBXRKQAT-LSDHHAIUSA-N
MW383.49 g/mol
LogP4.36
Rot. Bonds4

About (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide (PubChem CID 95139458) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide
PubChem CID95139458
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide
SMILESCc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](C)c1c(C)noc1C
InChIInChI=1S/C22H29N3O3/c1-13-12-18(22(27)25-11-7-6-8-14(25)2)9-10-19(13)23-21(26)15(3)20-16(4)24-28-17(20)5/h9-10,12,14-15H,6-8,11H2,1-5H3,(H,23,26)/t14-,15+/m0/s1
InChIKeyFQWLKERBXRKQAT-LSDHHAIUSA-N
XLogP4.36
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790160
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 119305940
2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide
CID 86933803
2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 56580263
(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 95279539
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590472
2-N,2-N,6-trimethyl-5-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]pyridine-2,5-dicarboxamide
CID 86890412
3-[[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]amino]-4-fluorobenzoic acid
CID 97337342
[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 100623753
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]propanamide
CID 124816071
N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 128950826

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide (CID 95139458) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide is Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NC(=O)[C@H](C)c1c(C)noc1C.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide?
The InChIKey is FQWLKERBXRKQAT-LSDHHAIUSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-13-12-18(22(27)25-11-7-6-8-14(25)2)9-10-19(13)23-21(26)15(3)20-16(4)24-28-17(20)5/h9-10,12,14-15H,6-8,11H2,1-5H3,(H,23,26)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide has a molecular weight of 383.49 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide is sourced from PubChem (CID 95139458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).