N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

C20H28N2O3 — CID 111464083

IUPACN-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCC1O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H28N2O3/c23-18-10-4-8-16(18)13-21-20(25)17-9-5-11-22(14-17)19(24)12-15-6-2-1-3-7-15/h1-3,6-7,16-18,23H,4-5,8-14H2,(H,21,25)
InChIKeyMRJMVYNCUQYJNO-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.74
Rot. Bonds5

About N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 111464083) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID111464083
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCC1O)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H28N2O3/c23-18-10-4-8-16(18)13-21-20(25)17-9-5-11-22(14-17)19(24)12-15-6-2-1-3-7-15/h1-3,6-7,16-18,23H,4-5,8-14H2,(H,21,25)
InChIKeyMRJMVYNCUQYJNO-UHFFFAOYSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 55652415
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204
2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 176713328
(3S)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 98786828
4-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541562
N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 154780462
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 56533945
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
2-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245327
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 111464083) is N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is O=C(NCC1CCCC1O)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is MRJMVYNCUQYJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-18-10-4-8-16(18)13-21-20(25)17-9-5-11-22(14-17)19(24)12-15-6-2-1-3-7-15/h1-3,6-7,16-18,23H,4-5,8-14H2,(H,21,25).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 111464083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).