(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide

C18H27N3O4 — CID 95297501

IUPAC(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
SMILESCCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(OCCOC)c2)C1
InChIInChI=1S/C18H27N3O4/c1-3-17(22)19-15-7-5-9-21(13-15)18(23)20-14-6-4-8-16(12-14)25-11-10-24-2/h4,6,8,12,15H,3,5,7,9-11,13H2,1-2H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyBHPIAKWQVQYNKQ-OAHLLOKOSA-N
MW349.43 g/mol
LogP2.23
Rot. Bonds7

About (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide

(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide (PubChem CID 95297501) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
PubChem CID95297501
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide
SMILESCCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(OCCOC)c2)C1
InChIInChI=1S/C18H27N3O4/c1-3-17(22)19-15-7-5-9-21(13-15)18(23)20-14-6-4-8-16(12-14)25-11-10-24-2/h4,6,8,12,15H,3,5,7,9-11,13H2,1-2H3,(H,19,22)(H,20,23)/t15-/m1/s1
InChIKeyBHPIAKWQVQYNKQ-OAHLLOKOSA-N
XLogP2.23
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(3-methoxyphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95139124
1-[[3-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076774
(3S)-1-N-[3-(2-methoxyethoxy)phenyl]-3-N,3-N-dimethylpiperidine-1,3-dicarboxamide
CID 95572739
(3S)-N-[3-(2-methoxyethoxy)phenyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95168046
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-phenylpyrrolidine-1-carboxamide
CID 95592117
3-hydroxy-N-(3-propoxyphenyl)piperidine-1-carboxamide
CID 47202480
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595316
N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 56822388
(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595317
(3S)-1-N-(3-propoxyphenyl)-3-N-propylpiperidine-1,3-dicarboxamide
CID 94396027
N-(3-methoxyphenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840497
tert-butyl N-[1-[(3-methoxyphenyl)carbamoyl]piperidin-3-yl]carbamate
CID 47065724

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide (CID 95297501) is (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide is CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(OCCOC)c2)C1.
What is the InChIKey of (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide?
The InChIKey is BHPIAKWQVQYNKQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-3-17(22)19-15-7-5-9-21(13-15)18(23)20-14-6-4-8-16(12-14)25-11-10-24-2/h4,6,8,12,15H,3,5,7,9-11,13H2,1-2H3,(H,19,22)(H,20,23)/t15-/m1/s1.
What are the key properties of (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide?
(3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(2-methoxyethoxy)phenyl]-3-(propanoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 95297501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).