N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide

C21H23N5O — CID 91507722

IUPACN-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide
SMILESC=CN(C(=O)n1nnc2ccccc21)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N5O/c1-2-25(21(27)26-20-11-7-6-10-19(20)22-23-26)18-12-14-24(15-13-18)16-17-8-4-3-5-9-17/h2-11,18H,1,12-16H2
InChIKeyFLAHPVVJSOBNFB-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.51
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide

N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide (PubChem CID 91507722) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide
PubChem CID91507722
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide
SMILESC=CN(C(=O)n1nnc2ccccc21)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N5O/c1-2-25(21(27)26-20-11-7-6-10-19(20)22-23-26)18-12-14-24(15-13-18)16-17-8-4-3-5-9-17/h2-11,18H,1,12-16H2
InChIKeyFLAHPVVJSOBNFB-UHFFFAOYSA-N
XLogP3.51
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide (CID 91507722) is N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide is C=CN(C(=O)n1nnc2ccccc21)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide?
The InChIKey is FLAHPVVJSOBNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-25(21(27)26-20-11-7-6-10-19(20)22-23-26)18-12-14-24(15-13-18)16-17-8-4-3-5-9-17/h2-11,18H,1,12-16H2.
What are the key properties of N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide?
N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-N-ethenylbenzotriazole-1-carboxamide is sourced from PubChem (CID 91507722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).