(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride

C16H28ClN5O — CID 119721578

IUPAC(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCCC2C(C)C)nnn1C1CCNCC1.Cl
InChIInChI=1S/C16H27N5O.ClH/c1-11(2)14-5-4-10-20(14)16(22)15-12(3)21(19-18-15)13-6-8-17-9-7-13;/h11,13-14,17H,4-10H2,1-3H3;1H
InChIKeyHCHZTUPIALVLEN-UHFFFAOYSA-N
MW341.89 g/mol
LogP2.19
Rot. Bonds3

About (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride

(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119721578) has the molecular formula C16H28ClN5O and a molecular weight of 341.89 g/mol. Its IUPAC name is (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119721578
Molecular FormulaC16H28ClN5O
Molecular Weight341.89 g/mol
Exact Mass341.20
IUPAC Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCc1c(C(=O)N2CCCC2C(C)C)nnn1C1CCNCC1.Cl
InChIInChI=1S/C16H27N5O.ClH/c1-11(2)14-5-4-10-20(14)16(22)15-12(3)21(19-18-15)13-6-8-17-9-7-13;/h11,13-14,17H,4-10H2,1-3H3;1H
InChIKeyHCHZTUPIALVLEN-UHFFFAOYSA-N
XLogP2.19
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 119721579
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119860038
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124695855
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119767292
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
CID 124701146
[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119816937
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124697618
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788299
[(3S)-3-(3-methylbutyl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 99850060
[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124698009
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 119721741
[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119748666

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 119721578) is (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride is Cc1c(C(=O)N2CCCC2C(C)C)nnn1C1CCNCC1.Cl.
What is the InChIKey of (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is HCHZTUPIALVLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O.ClH/c1-11(2)14-5-4-10-20(14)16(22)15-12(3)21(19-18-15)13-6-8-17-9-7-13;/h11,13-14,17H,4-10H2,1-3H3;1H.
What are the key properties of (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 341.89 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119721578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).