2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid

C20H32N2O4 — CID 119178723

IUPAC2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1
InChIInChI=1S/C20H32N2O4/c23-18(24)13-14-9-11-22(12-10-14)20(26)16-5-7-17(8-6-16)21-19(25)15-3-1-2-4-15/h14-17H,1-13H2,(H,21,25)(H,23,24)
InChIKeyUOBBPFIQMMDZPO-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.56
Rot. Bonds5

About 2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid

2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid (PubChem CID 119178723) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid
PubChem CID119178723
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1
InChIInChI=1S/C20H32N2O4/c23-18(24)13-14-9-11-22(12-10-14)20(26)16-5-7-17(8-6-16)21-19(25)15-3-1-2-4-15/h14-17H,1-13H2,(H,21,25)(H,23,24)
InChIKeyUOBBPFIQMMDZPO-UHFFFAOYSA-N
XLogP2.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
2-[4-(cyclobutylcarbamoyl)cyclohexyl]acetic acid
CID 115150956
1-(cyclopropanecarbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 43389164
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 45224052
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60597292
N-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 95051673
N-cyclopentyl-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145772
N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146089
1-(2-cyclopentylacetyl)-N-cyclopropylpiperidine-3-carboxamide
CID 71935025
methyl 2-[1-[4-(piperidine-4-carbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetate;2,2,2-trifluoroacetic acid
CID 67802785
N-[1-(cyclobutanecarbonyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 53016389

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid (CID 119178723) is 2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1.
What is the InChIKey of 2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid?
The InChIKey is UOBBPFIQMMDZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c23-18(24)13-14-9-11-22(12-10-14)20(26)16-5-7-17(8-6-16)21-19(25)15-3-1-2-4-15/h14-17H,1-13H2,(H,21,25)(H,23,24).
What are the key properties of 2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid?
2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid has a molecular weight of 364.49 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).