4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide

C18H28N2O3 — CID 91918376

IUPAC4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(OCCOCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-10-19-18(21)20-11-8-17(9-12-20)23-14-13-22-15-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,19,21)
InChIKeyFPTDHHFCSALZQP-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.80
Rot. Bonds8

About 4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide

4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide (PubChem CID 91918376) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide
PubChem CID91918376
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(OCCOCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3/c1-2-10-19-18(21)20-11-8-17(9-12-20)23-14-13-22-15-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,19,21)
InChIKeyFPTDHHFCSALZQP-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-phenylmethoxyethoxy)-N-propylpiperidine-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

(1-phenylcyclopropyl)-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91907819
4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
CID 122567532
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
N-[(1-acetylpiperidin-4-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 136524004
tert-butyl 4-[4-(4-phenylmethoxybutoxy)butoxy]piperidine-1-carboxylate
CID 134492988
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
CID 91907818
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141
1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851
5-methyl-1-[3-(2-phenylmethoxyethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122123416
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
(3S)-N-(2-methylpropyl)-3-phenylmethoxypyrrolidine-1-carboxamide
CID 164638463
N-[(5-methylthiophen-2-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
CID 87003686

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide (CID 91918376) is 4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(OCCOCc2ccccc2)CC1.
What is the InChIKey of 4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide?
The InChIKey is FPTDHHFCSALZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-10-19-18(21)20-11-8-17(9-12-20)23-14-13-22-15-16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3,(H,19,21).
What are the key properties of 4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide?
4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyethoxy)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 91918376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).