1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide

C18H22N6O2 — CID 121153964

IUPAC1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)c3cnn(-c4ccccc4)n3)C2)CC1
InChIInChI=1S/C18H22N6O2/c19-17(25)13-6-8-22(9-7-13)15-11-23(12-15)18(26)16-10-20-24(21-16)14-4-2-1-3-5-14/h1-5,10,13,15H,6-9,11-12H2,(H2,19,25)
InChIKeyRXRVLAAQSUZLIP-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.29
Rot. Bonds4

About 1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide

1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153964) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153964
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CN(C(=O)c3cnn(-c4ccccc4)n3)C2)CC1
InChIInChI=1S/C18H22N6O2/c19-17(25)13-6-8-22(9-7-13)15-11-23(12-15)18(26)16-10-20-24(21-16)14-4-2-1-3-5-14/h1-5,10,13,15H,6-9,11-12H2,(H2,19,25)
InChIKeyRXRVLAAQSUZLIP-UHFFFAOYSA-N
XLogP0.29
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
(2-phenyltriazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995171
(3-hydroxyazetidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 55178970
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 115969425
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 120660181
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 95323916
3-[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159881
1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900478
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 120745397
(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 51324265

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide (CID 121153964) is 1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CN(C(=O)c3cnn(-c4ccccc4)n3)C2)CC1.
What is the InChIKey of 1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is RXRVLAAQSUZLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c19-17(25)13-6-8-22(9-7-13)15-11-23(12-15)18(26)16-10-20-24(21-16)14-4-2-1-3-5-14/h1-5,10,13,15H,6-9,11-12H2,(H2,19,25).
What are the key properties of 1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide?
1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenyltriazole-4-carbonyl)azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).