1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide

C22H27N3O3 — CID 55860208

IUPAC1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccnc1)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c26-21(11-16-28-20-6-2-1-3-7-20)25-14-9-19(10-15-25)22(27)24-13-8-18-5-4-12-23-17-18/h1-7,12,17,19H,8-11,13-16H2,(H,24,27)
InChIKeyPZFJACZFALBGMO-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.45
Rot. Bonds8

About 1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide

1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide (PubChem CID 55860208) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
PubChem CID55860208
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1cccnc1)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C22H27N3O3/c26-21(11-16-28-20-6-2-1-3-7-20)25-14-9-19(10-15-25)22(27)24-13-8-18-5-4-12-23-17-18/h1-7,12,17,19H,8-11,13-16H2,(H,24,27)
InChIKeyPZFJACZFALBGMO-UHFFFAOYSA-N
XLogP2.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenoxypropanoyl)-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 55854450
N-(2-hydroxyethyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901451
3-[1-(3-phenoxypropanoyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 42516784
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-[2-(1H-indol-3-yl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 60520759
N-[(4-chlorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55853684
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856671
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55876010
1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55856174
N-(2-amino-2-ethylbutyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 119643819
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide (CID 55860208) is 1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide is O=C(NCCc1cccnc1)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
The InChIKey is PZFJACZFALBGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21(11-16-28-20-6-2-1-3-7-20)25-14-9-19(10-15-25)22(27)24-13-8-18-5-4-12-23-17-18/h1-7,12,17,19H,8-11,13-16H2,(H,24,27).
What are the key properties of 1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide?
1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropanoyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55860208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).