2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone

C14H23N5O — CID 119883778

IUPAC2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCN1)N1CCCC(Cn2cncn2)C1
InChIInChI=1S/C14H23N5O/c20-14(7-13-4-1-5-16-13)18-6-2-3-12(8-18)9-19-11-15-10-17-19/h10-13,16H,1-9H2
InChIKeyNKXDJEARRDLYHM-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.66
Rot. Bonds4

About 2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone

2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 119883778) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID119883778
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCN1)N1CCCC(Cn2cncn2)C1
InChIInChI=1S/C14H23N5O/c20-14(7-13-4-1-5-16-13)18-6-2-3-12(8-18)9-19-11-15-10-17-19/h10-13,16H,1-9H2
InChIKeyNKXDJEARRDLYHM-UHFFFAOYSA-N
XLogP0.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119883763
3-piperidin-4-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 119883770
[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 124699435
(2S)-2-amino-3-methyl-1-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 124604413
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
2-amino-2-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 122148329
3-methyl-5-[3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 136522063
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 120800388
1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 64597887
(3S)-3-(1,2,4-triazol-1-ylmethyl)piperazine-1-carboxylic acid
CID 68988092
(3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide
CID 97340797
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone (CID 119883778) is 2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone is O=C(CC1CCCN1)N1CCCC(Cn2cncn2)C1.
What is the InChIKey of 2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is NKXDJEARRDLYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c20-14(7-13-4-1-5-16-13)18-6-2-3-12(8-18)9-19-11-15-10-17-19/h10-13,16H,1-9H2.
What are the key properties of 2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone?
2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119883778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).