2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid

C22H32N2O3 — CID 167906199

IUPAC2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)C2CCCN(Cc3ccccc3)C2)CCCCC1
InChIInChI=1S/C22H32N2O3/c25-20(26)14-22(11-5-2-6-12-22)17-23-21(27)19-10-7-13-24(16-19)15-18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2,(H,23,27)(H,25,26)
InChIKeyHEBUBYOQZYEYQP-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.44
Rot. Bonds7

About 2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid

2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid (PubChem CID 167906199) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
PubChem CID167906199
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)C2CCCN(Cc3ccccc3)C2)CCCCC1
InChIInChI=1S/C22H32N2O3/c25-20(26)14-22(11-5-2-6-12-22)17-23-21(27)19-10-7-13-24(16-19)15-18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2,(H,23,27)(H,25,26)
InChIKeyHEBUBYOQZYEYQP-UHFFFAOYSA-N
XLogP3.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
1-benzylpiperidine-3-carbonyl chloride
CID 22006205
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid (CID 167906199) is 2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid is O=C(O)CC1(CNC(=O)C2CCCN(Cc3ccccc3)C2)CCCCC1.
What is the InChIKey of 2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
The InChIKey is HEBUBYOQZYEYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c25-20(26)14-22(11-5-2-6-12-22)17-23-21(27)19-10-7-13-24(16-19)15-18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2,(H,23,27)(H,25,26).
What are the key properties of 2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid?
2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid has a molecular weight of 372.51 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1-benzylpiperidine-3-carbonyl)amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 167906199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).