[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone

C19H25N5O2 — CID 119766019

IUPAC[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCOc1ccc(C2CCN(C(=O)c3cn(C4CCNCC4)nn3)C2)cc1
InChIInChI=1S/C19H25N5O2/c1-26-17-4-2-14(3-5-17)15-8-11-23(12-15)19(25)18-13-24(22-21-18)16-6-9-20-10-7-16/h2-5,13,15-16,20H,6-12H2,1H3
InChIKeyUREOSXKWZVCGES-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.84
Rot. Bonds4

About [3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone

[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119766019) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119766019
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCOc1ccc(C2CCN(C(=O)c3cn(C4CCNCC4)nn3)C2)cc1
InChIInChI=1S/C19H25N5O2/c1-26-17-4-2-14(3-5-17)15-8-11-23(12-15)19(25)18-13-24(22-21-18)16-6-9-20-10-7-16/h2-5,13,15-16,20H,6-12H2,1H3
InChIKeyUREOSXKWZVCGES-UHFFFAOYSA-N
XLogP1.84
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119699792
(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030
(1-cyclohexyltriazol-4-yl)-[(3S)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25311591
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 115965181
(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119727463
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119313376
[3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843240
[3-(2-methylpropoxy)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119821796
(3-ethyl-4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119817651
3-(4-methoxyphenyl)-1-[4-[4-(piperidine-1-carbonyl)triazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 74441833
[3-(dimethylamino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119874479
(1-cyclohexyltriazol-4-yl)-[(3R)-3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 42190508

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of [3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119766019) is [3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for [3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is COc1ccc(C2CCN(C(=O)c3cn(C4CCNCC4)nn3)C2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is UREOSXKWZVCGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-26-17-4-2-14(3-5-17)15-8-11-23(12-15)19(25)18-13-24(22-21-18)16-6-9-20-10-7-16/h2-5,13,15-16,20H,6-12H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 355.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119766019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).