(2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide

C15H24N4O2 — CID 125440782

IUPAC(2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCC1(Cn2ccnc2)CC1)N1CCCC[C@@H]1CO
InChIInChI=1S/C15H24N4O2/c20-9-13-3-1-2-7-19(13)14(21)17-10-15(4-5-15)11-18-8-6-16-12-18/h6,8,12-13,20H,1-5,7,9-11H2,(H,17,21)/t13-/m1/s1
InChIKeyFNNIRNWGUFJLRE-CYBMUJFWSA-N
MW292.38 g/mol
LogP1.22
Rot. Bonds5

About (2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide

(2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide (PubChem CID 125440782) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide
PubChem CID125440782
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCC1(Cn2ccnc2)CC1)N1CCCC[C@@H]1CO
InChIInChI=1S/C15H24N4O2/c20-9-13-3-1-2-7-19(13)14(21)17-10-15(4-5-15)11-18-8-6-16-12-18/h6,8,12-13,20H,1-5,7,9-11H2,(H,17,21)/t13-/m1/s1
InChIKeyFNNIRNWGUFJLRE-CYBMUJFWSA-N
XLogP1.22
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide (CID 125440782) is (2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide is O=C(NCC1(Cn2ccnc2)CC1)N1CCCC[C@@H]1CO.
What is the InChIKey of (2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide?
The InChIKey is FNNIRNWGUFJLRE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-9-13-3-1-2-7-19(13)14(21)17-10-15(4-5-15)11-18-8-6-16-12-18/h6,8,12-13,20H,1-5,7,9-11H2,(H,17,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide?
(2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(hydroxymethyl)-N-[[1-(imidazol-1-ylmethyl)cyclopropyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 125440782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).