2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C17H23N5O — CID 1469612

IUPAC2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC(n2nnc3ccccc32)CC1)N1CCCC1
InChIInChI=1S/C17H23N5O/c23-17(21-9-3-4-10-21)13-20-11-7-14(8-12-20)22-16-6-2-1-5-15(16)18-19-22/h1-2,5-6,14H,3-4,7-13H2
InChIKeyZZULRYKLTQCRIX-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.69
Rot. Bonds3

About 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 1469612) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID1469612
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC(n2nnc3ccccc32)CC1)N1CCCC1
InChIInChI=1S/C17H23N5O/c23-17(21-9-3-4-10-21)13-20-11-7-14(8-12-20)22-16-6-2-1-5-15(16)18-19-22/h1-2,5-6,14H,3-4,7-13H2
InChIKeyZZULRYKLTQCRIX-UHFFFAOYSA-N
XLogP1.69
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2-chlorophenyl)acetamide
CID 1469617
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 645302
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 1469614
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1469613
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 1469552
1-[4-[4-(benzotriazol-1-yl)piperidin-1-yl]butyl]-3,4,5,6,7,8-hexahydroquinolin-2-one
CID 139662958
N-[2-[4-(benzotriazol-1-yl)piperidin-1-yl]ethyl]-2-phenylcyclopropane-1-carboxamide
CID 53482033
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N,N-diphenylacetamide
CID 1469769
1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 136520142
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7436500
(2R)-2-[(3S,4S)-3-[[4-(benzotriazol-1-yl)piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]-2-cyclohexylacetic acid
CID 20664159
[(2S)-2-(dibenzylamino)propyl] 4-(benzotriazol-1-yl)piperidine-1-carboxylate
CID 25192679

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 1469612) is 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCC(n2nnc3ccccc32)CC1)N1CCCC1.
What is the InChIKey of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is ZZULRYKLTQCRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-17(21-9-3-4-10-21)13-20-11-7-14(8-12-20)22-16-6-2-1-5-15(16)18-19-22/h1-2,5-6,14H,3-4,7-13H2.
What are the key properties of 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 313.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 1469612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).