(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide

C18H27N3O3 — CID 95595317

IUPAC(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@H](NC(=O)CC)C2)cc1C
InChIInChI=1S/C18H27N3O3/c1-4-17(22)19-15-7-6-10-21(12-15)18(23)20-14-8-9-16(24-5-2)13(3)11-14/h8-9,11,15H,4-7,10,12H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyMVBPQYFASYXBCH-HNNXBMFYSA-N
MW333.43 g/mol
LogP2.92
Rot. Bonds5

About (3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide

(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide (PubChem CID 95595317) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is (3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
PubChem CID95595317
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@H](NC(=O)CC)C2)cc1C
InChIInChI=1S/C18H27N3O3/c1-4-17(22)19-15-7-6-10-21(12-15)18(23)20-14-8-9-16(24-5-2)13(3)11-14/h8-9,11,15H,4-7,10,12H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyMVBPQYFASYXBCH-HNNXBMFYSA-N
XLogP2.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 56822388
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595316
N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 84600938
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95622514
(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 95297501
N-(4-ethoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47410728
4-(2,2-difluoroethyl)-N-(4-ethoxy-3-methylphenyl)piperazine-1-carboxamide
CID 49118117
(2R)-N-(4-ethoxy-3-methylphenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97340327
(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
CID 97270143
N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 118011626
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-3-(propanoylamino)piperidine-1-carboxamide
CID 56566588

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide (CID 95595317) is (3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC[C@H](NC(=O)CC)C2)cc1C.
What is the InChIKey of (3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide?
The InChIKey is MVBPQYFASYXBCH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-4-17(22)19-15-7-6-10-21(12-15)18(23)20-14-8-9-16(24-5-2)13(3)11-14/h8-9,11,15H,4-7,10,12H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1.
What are the key properties of (3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide?
(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 95595317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).