(3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide

C19H27N3O3 — CID 97455461

IUPAC(3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@H](CCCOC)C2)cc1C#N
InChIInChI=1S/C19H27N3O3/c1-3-25-18-9-8-17(12-16(18)13-20)21-19(23)22-10-4-6-15(14-22)7-5-11-24-2/h8-9,12,15H,3-7,10-11,14H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyQXTIKKJOVKMHCW-OAHLLOKOSA-N
MW345.44 g/mol
LogP3.63
Rot. Bonds7

About (3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide

(3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide (PubChem CID 97455461) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
PubChem CID97455461
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@H](CCCOC)C2)cc1C#N
InChIInChI=1S/C19H27N3O3/c1-3-25-18-9-8-17(12-16(18)13-20)21-19(23)22-10-4-6-15(14-22)7-5-11-24-2/h8-9,12,15H,3-7,10-11,14H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyQXTIKKJOVKMHCW-OAHLLOKOSA-N
XLogP3.63
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyano-4-ethoxyphenyl)-2-(2-methoxyethyl)morpholine-4-carboxamide
CID 118769323
N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide
CID 118768650
N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
CID 47197599
N-(3-cyano-4-ethoxyphenyl)-4-[(3R,4S)-4-hydroxyoxolan-3-yl]-1,4-diazepane-1-carboxamide
CID 133114043
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71991819
3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 47749624
(3R)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530938
(3S)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530937
(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
CID 97270143
(6R)-N-(3-cyano-4-methoxyphenyl)-6-(hydroxymethyl)-1,4-oxazepane-4-carboxamide
CID 97279682
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide (CID 97455461) is (3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC[C@H](CCCOC)C2)cc1C#N.
What is the InChIKey of (3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide?
The InChIKey is QXTIKKJOVKMHCW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-25-18-9-8-17(12-16(18)13-20)21-19(23)22-10-4-6-15(14-22)7-5-11-24-2/h8-9,12,15H,3-7,10-11,14H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide?
(3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide is sourced from PubChem (CID 97455461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).