3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C14H24N2O4 — CID 63042467

IUPAC3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NC(=O)N2CCC(CO)CC2)C1
InChIInChI=1S/C14H24N2O4/c17-9-10-4-6-16(7-5-10)14(20)15-12-3-1-2-11(8-12)13(18)19/h10-12,17H,1-9H2,(H,15,20)(H,18,19)
InChIKeyDJPBMBCLDHVRQJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.04
Rot. Bonds3

About 3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63042467) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63042467
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NC(=O)N2CCC(CO)CC2)C1
InChIInChI=1S/C14H24N2O4/c17-9-10-4-6-16(7-5-10)14(20)15-12-3-1-2-11(8-12)13(18)19/h10-12,17H,1-9H2,(H,15,20)(H,18,19)
InChIKeyDJPBMBCLDHVRQJ-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147693
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
3-(thiomorpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63041930
3-[(1,1-dioxo-1,4-thiazinane-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044455
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63041940
3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 102933740
1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 64742360
cis-(1R,3S)-3-(piperazine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106319369

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 63042467) is 3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NC(=O)N2CCC(CO)CC2)C1.
What is the InChIKey of 3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DJPBMBCLDHVRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-9-10-4-6-16(7-5-10)14(20)15-12-3-1-2-11(8-12)13(18)19/h10-12,17H,1-9H2,(H,15,20)(H,18,19).
What are the key properties of 3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).