1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide

C18H22N2O3 — CID 51087677

IUPAC1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C18H22N2O3/c1-2-11-19-18(22)15-8-12-20(13-9-15)17(21)10-14-23-16-6-4-3-5-7-16/h1,3-7,15H,8-14H2,(H,19,22)
InChIKeyKLAQYSHXHAENHP-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.44
Rot. Bonds6

About 1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide

1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 51087677) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
PubChem CID51087677
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C18H22N2O3/c1-2-11-19-18(22)15-8-12-20(13-9-15)17(21)10-14-23-16-6-4-3-5-7-16/h1,3-7,15H,8-14H2,(H,19,22)
InChIKeyKLAQYSHXHAENHP-UHFFFAOYSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-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

N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
N-(3-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119995540
1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 56544295
methyl 1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylate
CID 84581076
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78904763

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide (CID 51087677) is 1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide is C#CCNC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is KLAQYSHXHAENHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-11-19-18(22)15-8-12-20(13-9-15)17(21)10-14-23-16-6-4-3-5-7-16/h1,3-7,15H,8-14H2,(H,19,22).
What are the key properties of 1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide?
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 51087677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).