(3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

C14H23N5O2 — CID 124568296

IUPAC(3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCOC[C@@H](NC(=O)N1CCC[C@@H](n2cncn2)C1)C1CC1
InChIInChI=1S/C14H23N5O2/c1-21-8-13(11-4-5-11)17-14(20)18-6-2-3-12(7-18)19-10-15-9-16-19/h9-13H,2-8H2,1H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyKGZJIEPBICOSBG-CHWSQXEVSA-N
MW293.37 g/mol
LogP1.05
Rot. Bonds5

About (3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide

(3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (PubChem CID 124568296) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
PubChem CID124568296
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
SMILESCOC[C@@H](NC(=O)N1CCC[C@@H](n2cncn2)C1)C1CC1
InChIInChI=1S/C14H23N5O2/c1-21-8-13(11-4-5-11)17-14(20)18-6-2-3-12(7-18)19-10-15-9-16-19/h9-13H,2-8H2,1H3,(H,17,20)/t12-,13-/m1/s1
InChIKeyKGZJIEPBICOSBG-CHWSQXEVSA-N
XLogP1.05
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide (CID 124568296) is (3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is COC[C@@H](NC(=O)N1CCC[C@@H](n2cncn2)C1)C1CC1.
What is the InChIKey of (3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
The InChIKey is KGZJIEPBICOSBG-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-21-8-13(11-4-5-11)17-14(20)18-6-2-3-12(7-18)19-10-15-9-16-19/h9-13H,2-8H2,1H3,(H,17,20)/t12-,13-/m1/s1.
What are the key properties of (3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide?
(3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-(1,2,4-triazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124568296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).