(3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide

C19H27N3O3 — CID 94384104

IUPAC(3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)N1CCC[C@H](C(=O)NC2CC2)C1
InChIInChI=1S/C19H27N3O3/c1-13(16-7-3-4-8-17(16)25-2)20-19(24)22-11-5-6-14(12-22)18(23)21-15-9-10-15/h3-4,7-8,13-15H,5-6,9-12H2,1-2H3,(H,20,24)(H,21,23)/t13-,14-/m0/s1
InChIKeyFEFOASUBEHUEEX-KBPBESRZSA-N
MW345.44 g/mol
LogP2.46
Rot. Bonds5

About (3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide

(3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide (PubChem CID 94384104) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
PubChem CID94384104
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
SMILESCOc1ccccc1[C@H](C)NC(=O)N1CCC[C@H](C(=O)NC2CC2)C1
InChIInChI=1S/C19H27N3O3/c1-13(16-7-3-4-8-17(16)25-2)20-19(24)22-11-5-6-14(12-22)18(23)21-15-9-10-15/h3-4,7-8,13-15H,5-6,9-12H2,1-2H3,(H,20,24)(H,21,23)/t13-,14-/m0/s1
InChIKeyFEFOASUBEHUEEX-KBPBESRZSA-N
XLogP2.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide with MolForge

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Related Compounds

N-cyclohexyl-4-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 112820092
N-cyclopropyl-1-[1-(2-methoxybenzoyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56867909
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 30330612
N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 8000352
N-[1-(2-bromophenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 47030959
N-[1-(2,4-dimethoxyphenyl)ethyl]azocane-1-carboxamide
CID 87004692
N-[1-(2-methoxybenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 110820511
2-(azepan-1-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 86918659
1-[2-(2-methoxyphenyl)acetyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 49405666
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
ethyl 3-[1-(2,5-dimethoxyphenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 43057044

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide (CID 94384104) is (3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide is COc1ccccc1[C@H](C)NC(=O)N1CCC[C@H](C(=O)NC2CC2)C1.
What is the InChIKey of (3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide?
The InChIKey is FEFOASUBEHUEEX-KBPBESRZSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(16-7-3-4-8-17(16)25-2)20-19(24)22-11-5-6-14(12-22)18(23)21-15-9-10-15/h3-4,7-8,13-15H,5-6,9-12H2,1-2H3,(H,20,24)(H,21,23)/t13-,14-/m0/s1.
What are the key properties of (3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-cyclopropyl-1-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 94384104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).