2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid

C20H36N4O3 — CID 75111317

IUPAC2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NC2CCCCC2)CC1CCN1CCNCC1
InChIInChI=1S/C20H36N4O3/c25-19(26)14-16-7-11-24(20(27)22-18-4-2-1-3-5-18)15-17(16)6-10-23-12-8-21-9-13-23/h16-18,21H,1-15H2,(H,22,27)(H,25,26)
InChIKeyAHLPMYBNSUSICD-UHFFFAOYSA-N
MW380.53 g/mol
LogP1.74
Rot. Bonds6

About 2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid

2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid (PubChem CID 75111317) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid
PubChem CID75111317
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)NC2CCCCC2)CC1CCN1CCNCC1
InChIInChI=1S/C20H36N4O3/c25-19(26)14-16-7-11-24(20(27)22-18-4-2-1-3-5-18)15-17(16)6-10-23-12-8-21-9-13-23/h16-18,21H,1-15H2,(H,22,27)(H,25,26)
InChIKeyAHLPMYBNSUSICD-UHFFFAOYSA-N
XLogP1.74
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4S)-3-[2-(4-acetylpiperazin-1-yl)ethyl]-1-(cyclohexylcarbamoyl)piperidin-4-yl]acetic acid
CID 28959904
2-[1-(cyclohexylcarbamoyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]acetic acid
CID 74577041
2-[1-(cyclohexylcarbamoyl)-3-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]acetic acid
CID 162799489
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
N-cyclohexyl-3-piperazin-1-ylpropanamide
CID 28807752
1-[2-[(3R,4S)-4-(carboxymethyl)-1-(phenylcarbamoyl)piperidin-3-yl]ethyl]piperidine-4-carboxylic acid
CID 28959506
tert-butyl 2-[1-(cyclohexylcarbamoyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]acetate
CID 74576665
3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61194091
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
carbonic acid;N-cyclohexyl-4-(2-piperazin-1-ylethyl)benzamide
CID 22362372
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
CID 43162430
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid (CID 75111317) is 2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)NC2CCCCC2)CC1CCN1CCNCC1.
What is the InChIKey of 2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid?
The InChIKey is AHLPMYBNSUSICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c25-19(26)14-16-7-11-24(20(27)22-18-4-2-1-3-5-18)15-17(16)6-10-23-12-8-21-9-13-23/h16-18,21H,1-15H2,(H,22,27)(H,25,26).
What are the key properties of 2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid?
2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid has a molecular weight of 380.53 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylcarbamoyl)-3-(2-piperazin-1-ylethyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 75111317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).