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

C16H28N6O — CID 119843240

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2cn(C3CCNCC3)nn2)C1
InChIInChI=1S/C16H28N6O/c1-3-20(4-2)14-7-10-21(11-14)16(23)15-12-22(19-18-15)13-5-8-17-9-6-13/h12-14,17H,3-11H2,1-2H3
InChIKeyFONZRDSSHCHONE-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.76
Rot. Bonds5

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

[3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119843240) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119843240
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESCCN(CC)C1CCN(C(=O)c2cn(C3CCNCC3)nn2)C1
InChIInChI=1S/C16H28N6O/c1-3-20(4-2)14-7-10-21(11-14)16(23)15-12-22(19-18-15)13-5-8-17-9-6-13/h12-14,17H,3-11H2,1-2H3
InChIKeyFONZRDSSHCHONE-UHFFFAOYSA-N
XLogP0.76
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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
2-(diethylamino)-1-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119875924
[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
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
(2-methylthiomorpholin-4-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119774179
1-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119766019
[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263
(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119843240) is [3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is CCN(CC)C1CCN(C(=O)c2cn(C3CCNCC3)nn2)C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is FONZRDSSHCHONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-3-20(4-2)14-7-10-21(11-14)16(23)15-12-22(19-18-15)13-5-8-17-9-6-13/h12-14,17H,3-11H2,1-2H3.
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone?
[3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 320.44 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119843240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).