1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid

C16H26N2O3 — CID 122012285

IUPAC1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)12-6-8-18(9-7-12)16(21)17-14-10-13(14)11-4-2-1-3-5-11/h11-14H,1-10H2,(H,17,21)(H,19,20)/t13-,14+/m0/s1
InChIKeyZDQHTCQTNDTMAM-UONOGXRCSA-N
MW294.39 g/mol
LogP2.46
Rot. Bonds3

About 1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid

1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122012285) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122012285
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1
InChIInChI=1S/C16H26N2O3/c19-15(20)12-6-8-18(9-7-12)16(21)17-14-10-13(14)11-4-2-1-3-5-11/h11-14H,1-10H2,(H,17,21)(H,19,20)/t13-,14+/m0/s1
InChIKeyZDQHTCQTNDTMAM-UONOGXRCSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-cyclohexylcyclopropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673884
1-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122003861
N-[(1R,2S)-2-cyclobutylcyclopropyl]-1,4-oxazepane-4-carboxamide
CID 128909370
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
1-[[(1S,2S)-2-(2,2,2-trifluoroethyl)cyclohexyl]carbamoyl]piperidine-4-carboxylic acid
CID 122016138
1-[[(1R,2R)-2-(2-methylpropyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122017364
1-[[(1R,2R)-2-methoxycyclopentyl]carbamoyl]piperidine-4-carboxylic acid
CID 122016519
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
N-(2-cyclohexylcyclopropyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 71929793
1-[[(1R,2S)-2-fluorocyclopentyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015640
1-(1-acetylpiperidin-4-yl)-3-(2-cyclohexylcyclopropyl)-2-methylguanidine
CID 119146241
1-[(2-phenylcyclopentyl)carbamoyl]piperidine-4-carboxylic acid
CID 122001822

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid (CID 122012285) is 1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)CC1.
What is the InChIKey of 1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is ZDQHTCQTNDTMAM-UONOGXRCSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-15(20)12-6-8-18(9-7-12)16(21)17-14-10-13(14)11-4-2-1-3-5-11/h11-14H,1-10H2,(H,17,21)(H,19,20)/t13-,14+/m0/s1.
What are the key properties of 1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2S)-2-cyclohexylcyclopropyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122012285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).