2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid

C19H30N4O3 — CID 137344417

IUPAC2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
SMILESCc1ncc(CN(CC(=O)O)C(=O)C2CCCN(C3CCCCC3)C2)[nH]1
InChIInChI=1S/C19H30N4O3/c1-14-20-10-16(21-14)12-23(13-18(24)25)19(26)15-6-5-9-22(11-15)17-7-3-2-4-8-17/h10,15,17H,2-9,11-13H2,1H3,(H,20,21)(H,24,25)
InChIKeyRXXSLBUBMXJPRV-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.18
Rot. Bonds6

About 2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid

2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid (PubChem CID 137344417) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
PubChem CID137344417
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid
SMILESCc1ncc(CN(CC(=O)O)C(=O)C2CCCN(C3CCCCC3)C2)[nH]1
InChIInChI=1S/C19H30N4O3/c1-14-20-10-16(21-14)12-23(13-18(24)25)19(26)15-6-5-9-22(11-15)17-7-3-2-4-8-17/h10,15,17H,2-9,11-13H2,1H3,(H,20,21)(H,24,25)
InChIKeyRXXSLBUBMXJPRV-UHFFFAOYSA-N
XLogP2.18
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid (CID 137344417) is 2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid is Cc1ncc(CN(CC(=O)O)C(=O)C2CCCN(C3CCCCC3)C2)[nH]1.
What is the InChIKey of 2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
The InChIKey is RXXSLBUBMXJPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-14-20-10-16(21-14)12-23(13-18(24)25)19(26)15-6-5-9-22(11-15)17-7-3-2-4-8-17/h10,15,17H,2-9,11-13H2,1H3,(H,20,21)(H,24,25).
What are the key properties of 2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid?
2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid has a molecular weight of 362.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylpiperidine-3-carbonyl)-[(2-methyl-1H-imidazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 137344417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).