(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone

C21H29N5O — CID 119817651

IUPAC(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCCC1CN(C(=O)c2cn(C3CCNCC3)nn2)CCC1c1ccccc1
InChIInChI=1S/C21H29N5O/c1-2-16-14-25(13-10-19(16)17-6-4-3-5-7-17)21(27)20-15-26(24-23-20)18-8-11-22-12-9-18/h3-7,15-16,18-19,22H,2,8-14H2,1H3
InChIKeyWWHUBHRWHKVSTE-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.86
Rot. Bonds4

About (3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone

(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119817651) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is (3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119817651
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCCC1CN(C(=O)c2cn(C3CCNCC3)nn2)CCC1c1ccccc1
InChIInChI=1S/C21H29N5O/c1-2-16-14-25(13-10-19(16)17-6-4-3-5-7-17)21(27)20-15-26(24-23-20)18-8-11-22-12-9-18/h3-7,15-16,18-19,22H,2,8-14H2,1H3
InChIKeyWWHUBHRWHKVSTE-UHFFFAOYSA-N
XLogP2.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030
[3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843240
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 115965181
[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 124693146
1-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019
(2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119790919
[3-(2-methylpropoxy)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119821796
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119832564
(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119774179
[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 96565686

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of (3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119817651) is (3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for (3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for (3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is CCC1CN(C(=O)c2cn(C3CCNCC3)nn2)CCC1c1ccccc1.
What is the InChIKey of (3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is WWHUBHRWHKVSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-2-16-14-25(13-10-19(16)17-6-4-3-5-7-17)21(27)20-15-26(24-23-20)18-8-11-22-12-9-18/h3-7,15-16,18-19,22H,2,8-14H2,1H3.
What are the key properties of (3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 367.50 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119817651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).