(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

C19H22N2O3 — CID 31099034

IUPAC(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCCONC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C19H22N2O3/c1-2-24-20-18(22)15-9-6-12-21(13-15)19(23)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeySTZZMZANOZSYHS-OAHLLOKOSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds4

About (3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide

(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (PubChem CID 31099034) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
PubChem CID31099034
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
SMILESCCONC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C19H22N2O3/c1-2-24-20-18(22)15-9-6-12-21(13-15)19(23)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeySTZZMZANOZSYHS-OAHLLOKOSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
cyanomethyl (3S)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylate
CID 32609032
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
1-(naphthalene-1-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 24542998
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
N-[(4-acetamidophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 24628963
N-[4-(2-methoxyethoxy)phenyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46433629
methyl 3-[2-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]ethyl]benzoate
CID 97253196

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide (CID 31099034) is (3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is CCONC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of (3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
The InChIKey is STZZMZANOZSYHS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-2-24-20-18(22)15-9-6-12-21(13-15)19(23)17-11-5-8-14-7-3-4-10-16(14)17/h3-5,7-8,10-11,15H,2,6,9,12-13H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide?
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 31099034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).