1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide

C18H28N4O2 — CID 72904579

IUPAC1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1cnc(CN(C)C(=O)C2CCN(C(=O)C3CCCC3)CC2)[nH]1
InChIInChI=1S/C18H28N4O2/c1-13-11-19-16(20-13)12-21(2)17(23)15-7-9-22(10-8-15)18(24)14-5-3-4-6-14/h11,14-15H,3-10,12H2,1-2H3,(H,19,20)
InChIKeyPYEBYJHTTJQMQA-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.11
Rot. Bonds4

About 1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide

1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 72904579) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID72904579
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1cnc(CN(C)C(=O)C2CCN(C(=O)C3CCCC3)CC2)[nH]1
InChIInChI=1S/C18H28N4O2/c1-13-11-19-16(20-13)12-21(2)17(23)15-7-9-22(10-8-15)18(24)14-5-3-4-6-14/h11,14-15H,3-10,12H2,1-2H3,(H,19,20)
InChIKeyPYEBYJHTTJQMQA-UHFFFAOYSA-N
XLogP2.11
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide (CID 72904579) is 1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide is Cc1cnc(CN(C)C(=O)C2CCN(C(=O)C3CCCC3)CC2)[nH]1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is PYEBYJHTTJQMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-11-19-16(20-13)12-21(2)17(23)15-7-9-22(10-8-15)18(24)14-5-3-4-6-14/h11,14-15H,3-10,12H2,1-2H3,(H,19,20).
What are the key properties of 1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide?
1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72904579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).