[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone

C20H28N6O — CID 119900181

IUPAC[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCN(c1ccccc1)C1CCN(C(=O)c2cn(C3CCNCC3)nn2)CC1
InChIInChI=1S/C20H28N6O/c1-24(16-5-3-2-4-6-16)17-9-13-25(14-10-17)20(27)19-15-26(23-22-19)18-7-11-21-12-8-18/h2-6,15,17-18,21H,7-14H2,1H3
InChIKeyNJXCSJNQSNIYHF-UHFFFAOYSA-N
MW368.49 g/mol
LogP1.94
Rot. Bonds4

About [4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone

[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119900181) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is [4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119900181
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCN(c1ccccc1)C1CCN(C(=O)c2cn(C3CCNCC3)nn2)CC1
InChIInChI=1S/C20H28N6O/c1-24(16-5-3-2-4-6-16)17-9-13-25(14-10-17)20(27)19-15-26(23-22-19)18-7-11-21-12-8-18/h2-6,15,17-18,21H,7-14H2,1H3
InChIKeyNJXCSJNQSNIYHF-UHFFFAOYSA-N
XLogP1.94
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119817651
[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119874479
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 115965181
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119832564
1-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119876922
2-(diethylamino)-1-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119875924
[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263
(4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119699792
(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119727463

Frequently Asked Questions

What is the IUPAC name of [4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of [4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119900181) is [4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for [4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for [4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is CN(c1ccccc1)C1CCN(C(=O)c2cn(C3CCNCC3)nn2)CC1.
What is the InChIKey of [4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is NJXCSJNQSNIYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-24(16-5-3-2-4-6-16)17-9-13-25(14-10-17)20(27)19-15-26(23-22-19)18-7-11-21-12-8-18/h2-6,15,17-18,21H,7-14H2,1H3.
What are the key properties of [4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 368.49 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119900181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).