(2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide

C15H23ClN4O — CID 138000242

IUPAC(2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ncc(Cl)n1C)C(=O)[C@@H]1CCCN[C@@H]1C1CC1
InChIInChI=1S/C15H23ClN4O/c1-19(9-13-18-8-12(16)20(13)2)15(21)11-4-3-7-17-14(11)10-5-6-10/h8,10-11,14,17H,3-7,9H2,1-2H3/t11-,14-/m1/s1
InChIKeyGYHFUXCKZZKOKY-BXUZGUMPSA-N
MW310.83 g/mol
LogP1.81
Rot. Bonds4

About (2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide

(2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide (PubChem CID 138000242) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is (2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide
PubChem CID138000242
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name(2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide
SMILESCN(Cc1ncc(Cl)n1C)C(=O)[C@@H]1CCCN[C@@H]1C1CC1
InChIInChI=1S/C15H23ClN4O/c1-19(9-13-18-8-12(16)20(13)2)15(21)11-4-3-7-17-14(11)10-5-6-10/h8,10-11,14,17H,3-7,9H2,1-2H3/t11-,14-/m1/s1
InChIKeyGYHFUXCKZZKOKY-BXUZGUMPSA-N
XLogP1.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide (CID 138000242) is (2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide is CN(Cc1ncc(Cl)n1C)C(=O)[C@@H]1CCCN[C@@H]1C1CC1.
What is the InChIKey of (2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide?
The InChIKey is GYHFUXCKZZKOKY-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-19(9-13-18-8-12(16)20(13)2)15(21)11-4-3-7-17-14(11)10-5-6-10/h8,10-11,14,17H,3-7,9H2,1-2H3/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide?
(2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-cyclopropyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 138000242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).