2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid

C15H27N3O3 — CID 61199364

IUPAC2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid
SMILESCN1CCC(NC(=O)NC(C(=O)O)C2CCCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-18-9-7-12(8-10-18)16-15(21)17-13(14(19)20)11-5-3-2-4-6-11/h11-13H,2-10H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyBPLZCWRIEZAFHT-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.41
Rot. Bonds4

About 2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid

2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid (PubChem CID 61199364) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid
PubChem CID61199364
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid
SMILESCN1CCC(NC(=O)NC(C(=O)O)C2CCCCC2)CC1
InChIInChI=1S/C15H27N3O3/c1-18-9-7-12(8-10-18)16-15(21)17-13(14(19)20)11-5-3-2-4-6-11/h11-13H,2-10H2,1H3,(H,19,20)(H2,16,17,21)
InChIKeyBPLZCWRIEZAFHT-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid
CID 62710878
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156
2-[(1-methylpiperidin-4-yl)carbamoylamino]pentanedioic acid
CID 61198418
2-cyclohexyl-2-(dimethylaminocarbamoylamino)acetic acid
CID 83017392
2-cyclopropyl-2-[(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65059922
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
2-[(1-methylpiperidin-4-yl)amino]-2-oxoacetic acid
CID 43444893
2-cyclohexyl-2-(propylcarbamoylamino)acetic acid
CID 61014378
(2S)-2-hydroxy-3-[(1-methylpiperidin-4-yl)carbamoylamino]propanoic acid
CID 107838389
2-cyclohexyl-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 81108488
2-cyclohexyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetic acid
CID 61199133
2-cyclohexyl-2-(2-cyclopropylpropylcarbamoylamino)acetic acid
CID 103997560

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid (CID 61199364) is 2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid is CN1CCC(NC(=O)NC(C(=O)O)C2CCCCC2)CC1.
What is the InChIKey of 2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid?
The InChIKey is BPLZCWRIEZAFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-18-9-7-12(8-10-18)16-15(21)17-13(14(19)20)11-5-3-2-4-6-11/h11-13H,2-10H2,1H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid?
2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]acetic acid is sourced from PubChem (CID 61199364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).