(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide

C19H27N3O3 — CID 95298396

IUPAC(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C19H27N3O3/c1-14-5-6-15(2)17(12-14)20-19(24)22-7-3-4-16(13-22)18(23)21-8-10-25-11-9-21/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyLZXQFXFMNMOKJD-INIZCTEOSA-N
MW345.44 g/mol
LogP2.41
Rot. Bonds2

About (3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide

(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide (PubChem CID 95298396) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
PubChem CID95298396
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C19H27N3O3/c1-14-5-6-15(2)17(12-14)20-19(24)22-7-3-4-16(13-22)18(23)21-8-10-25-11-9-21/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyLZXQFXFMNMOKJD-INIZCTEOSA-N
XLogP2.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
(4aS,8aR)-N-(2,5-dimethylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51943981
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
3-(3-methylphenyl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 134000175
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 49457529
[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329391
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
N-(2,5-dimethylphenyl)-3-methylpiperidine-1-carbothioamide
CID 3478080
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
N-(4-methylphenyl)-3-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 47087366
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide (CID 95298396) is (3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c1.
What is the InChIKey of (3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide?
The InChIKey is LZXQFXFMNMOKJD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-5-6-15(2)17(12-14)20-19(24)22-7-3-4-16(13-22)18(23)21-8-10-25-11-9-21/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide?
(3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,5-dimethylphenyl)-3-(morpholine-4-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 95298396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).