N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide

C21H30N2O3 — CID 167912458

IUPACN-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(COc2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C21H30N2O3/c1-16(24)22-20(18-7-5-6-8-18)21(25)23-13-11-17(12-14-23)15-26-19-9-3-2-4-10-19/h2-4,9-10,17-18,20H,5-8,11-15H2,1H3,(H,22,24)
InChIKeyUHSBJVRQXNJDNB-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.00
Rot. Bonds6

About N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide

N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide (PubChem CID 167912458) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide
PubChem CID167912458
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(COc2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C21H30N2O3/c1-16(24)22-20(18-7-5-6-8-18)21(25)23-13-11-17(12-14-23)15-26-19-9-3-2-4-10-19/h2-4,9-10,17-18,20H,5-8,11-15H2,1H3,(H,22,24)
InChIKeyUHSBJVRQXNJDNB-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-3,3-dimethyl-1-oxo-1-[4-(phenoxymethyl)piperidin-1-yl]butan-2-yl]urea
CID 124852461
1-(2-acetamido-2-cyclopentylacetyl)-N-phenylpiperidine-4-carboxamide
CID 51272766
2-methyl-3-(methylamino)-1-[4-(phenoxymethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119751564
2-amino-1-[4-(phenoxymethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119304911
3-amino-1-[4-(phenoxymethyl)piperidin-1-yl]butan-1-one
CID 119751577
4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150582
2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 120789992
N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide
CID 97027395
2-hydroxy-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 100667514
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
N-[1-cyclopentyl-2-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 78846216
N-[1-cyclopentyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 55462491

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide?
The IUPAC name of N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide (CID 167912458) is N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide is CC(=O)NC(C(=O)N1CCC(COc2ccccc2)CC1)C1CCCC1.
What is the InChIKey of N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide?
The InChIKey is UHSBJVRQXNJDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16(24)22-20(18-7-5-6-8-18)21(25)23-13-11-17(12-14-23)15-26-19-9-3-2-4-10-19/h2-4,9-10,17-18,20H,5-8,11-15H2,1H3,(H,22,24).
What are the key properties of N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide?
N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide has a molecular weight of 358.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopentyl-2-oxo-2-[4-(phenoxymethyl)piperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 167912458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).