2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid

C15H27N3O3 — CID 65240806

IUPAC2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)NC1CCNCC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27N3O3/c1-18(14(21)17-12-5-9-16-10-6-12)15(11-13(19)20)7-3-2-4-8-15/h12,16H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyPCNKQDDYSPCPNJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.56
Rot. Bonds4

About 2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid

2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid (PubChem CID 65240806) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid
PubChem CID65240806
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid
SMILESCN(C(=O)NC1CCNCC1)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C15H27N3O3/c1-18(14(21)17-12-5-9-16-10-6-12)15(11-13(19)20)7-3-2-4-8-15/h12,16H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyPCNKQDDYSPCPNJ-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[cyclopropylmethylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65241040
2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65242776
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[1-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]cyclohexyl]acetic acid
CID 81368303
2-[1-[[cyclopropyl(ethyl)carbamoyl]-methylamino]cyclohexyl]acetic acid
CID 65240704
2-[1-(dimethylamino)cycloheptyl]acetic acid
CID 64526393
2-[1-[(3-amino-3-oxopropyl)carbamoyl-methylamino]cyclohexyl]acetic acid
CID 65240416
2-[1-[2-(azetidin-3-yl)propanoyl-methylamino]cyclohexyl]acetic acid
CID 116678184
2-[tert-butyl(piperidin-4-ylcarbamoyl)amino]acetic acid
CID 79257337
2-[1-[hexan-3-ylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65240709
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
CID 65240691

Frequently Asked Questions

What is the IUPAC name of 2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid (CID 65240806) is 2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid is CN(C(=O)NC1CCNCC1)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid?
The InChIKey is PCNKQDDYSPCPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-18(14(21)17-12-5-9-16-10-6-12)15(11-13(19)20)7-3-2-4-8-15/h12,16H,2-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid?
2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl(piperidin-4-ylcarbamoyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65240806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).