1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide

C19H27N3O3 — CID 119510299

IUPAC1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCN1)C1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C19H27N3O3/c23-18(14-25-17-8-2-1-3-9-17)22-11-5-6-15(13-22)19(24)21-12-16-7-4-10-20-16/h1-3,8-9,15-16,20H,4-7,10-14H2,(H,21,24)
InChIKeyCKNPGQAVCWXLHQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.17
Rot. Bonds6

About 1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide

1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 119510299) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID119510299
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCN1)C1CCCN(C(=O)COc2ccccc2)C1
InChIInChI=1S/C19H27N3O3/c23-18(14-25-17-8-2-1-3-9-17)22-11-5-6-15(13-22)19(24)21-12-16-7-4-10-20-16/h1-3,8-9,15-16,20H,4-7,10-14H2,(H,21,24)
InChIKeyCKNPGQAVCWXLHQ-UHFFFAOYSA-N
XLogP1.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119547681
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
1-(2-phenoxyacetyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119533899
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944
cis-(1R,3S)-3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677745
1-[3-[4-(methylaminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119543096
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 120945996
1-[(3R)-3-methylpiperidin-1-yl]-2-phenoxyethanone
CID 40543103
4-hydroxy-1-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 120528073
2-methyl-5-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]benzoic acid
CID 120528905
2-[3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119352027
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide
CID 119605857

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide (CID 119510299) is 1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCC1CCCN1)C1CCCN(C(=O)COc2ccccc2)C1.
What is the InChIKey of 1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is CKNPGQAVCWXLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-18(14-25-17-8-2-1-3-9-17)22-11-5-6-15(13-22)19(24)21-12-16-7-4-10-20-16/h1-3,8-9,15-16,20H,4-7,10-14H2,(H,21,24).
What are the key properties of 1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide?
1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyacetyl)-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 119510299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).