2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide

C18H25N5O2 — CID 75444904

IUPAC2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCCC1CCO)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C18H25N5O2/c1-14(15-5-7-17(8-6-15)23-12-10-19-21-23)20-18(25)22-11-3-2-4-16(22)9-13-24/h5-8,10,12,14,16,24H,2-4,9,11,13H2,1H3,(H,20,25)
InChIKeyJVJQZFMQVAHNOD-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.27
Rot. Bonds5

About 2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide

2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 75444904) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID75444904
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCC(NC(=O)N1CCCCC1CCO)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C18H25N5O2/c1-14(15-5-7-17(8-6-15)23-12-10-19-21-23)20-18(25)22-11-3-2-4-16(22)9-13-24/h5-8,10,12,14,16,24H,2-4,9,11,13H2,1H3,(H,20,25)
InChIKeyJVJQZFMQVAHNOD-UHFFFAOYSA-N
XLogP2.27
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-methyl-3-oxo-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]-1,4-diazepane-1-carboxamide
CID 124623328
4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
CID 75390249
2-(2-hydroxyethyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 60956630
(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 120873593
(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide
CID 95134126
2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61371555
2-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 61191119
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95278566
(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
CID 95134922
(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97317392
2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61370169
3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
CID 97244358

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide (CID 75444904) is 2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide is CC(NC(=O)N1CCCCC1CCO)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of 2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is JVJQZFMQVAHNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14(15-5-7-17(8-6-15)23-12-10-19-21-23)20-18(25)22-11-3-2-4-16(22)9-13-24/h5-8,10,12,14,16,24H,2-4,9,11,13H2,1H3,(H,20,25).
What are the key properties of 2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide?
2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 75444904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).