[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone

C22H20N6O — CID 155799572

IUPAC[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C22H20N6O/c29-22(20-15-24-28(26-20)18-6-2-1-3-7-18)27-13-10-16(11-14-27)19-9-8-17-5-4-12-23-21(17)25-19/h1-9,12,15-16H,10-11,13-14H2
InChIKeyGBCZXWXDDJVQBO-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.23
Rot. Bonds3

About [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone

[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 155799572) has the molecular formula C22H20N6O and a molecular weight of 384.44 g/mol. Its IUPAC name is [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID155799572
Molecular FormulaC22H20N6O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESO=C(c1cnn(-c2ccccc2)n1)N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C22H20N6O/c29-22(20-15-24-28(26-20)18-6-2-1-3-7-18)27-13-10-16(11-14-27)19-9-8-17-5-4-12-23-21(17)25-19/h1-9,12,15-16H,10-11,13-14H2
InChIKeyGBCZXWXDDJVQBO-UHFFFAOYSA-N
XLogP3.23
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155799037
cyclopentyl-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155941699
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 155981275
(4-methyl-1,3-thiazol-5-yl)-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155980501
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 155980893
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 155942020
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 163344454
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155942225
(2-phenyltriazol-4-yl)-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887074
[(3R)-3-aminopyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119412778

Frequently Asked Questions

What is the IUPAC name of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 155799572) is [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone is O=C(c1cnn(-c2ccccc2)n1)N1CCC(c2ccc3cccnc3n2)CC1.
What is the InChIKey of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is GBCZXWXDDJVQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O/c29-22(20-15-24-28(26-20)18-6-2-1-3-7-18)27-13-10-16(11-14-27)19-9-8-17-5-4-12-23-21(17)25-19/h1-9,12,15-16H,10-11,13-14H2.
What are the key properties of [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 384.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,8-naphthyridin-2-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 155799572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).