1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid

C16H22N4O2 — CID 117099457

IUPAC1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid
SMILESCCCCn1nnc2cc(N3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C16H22N4O2/c1-2-3-8-20-15-5-4-13(11-14(15)17-18-20)19-9-6-12(7-10-19)16(21)22/h4-5,11-12H,2-3,6-10H2,1H3,(H,21,22)
InChIKeyOSWUXEWENRENBK-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.53
Rot. Bonds5

About 1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid

1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid (PubChem CID 117099457) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid
PubChem CID117099457
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid
SMILESCCCCn1nnc2cc(N3CCC(C(=O)O)CC3)ccc21
InChIInChI=1S/C16H22N4O2/c1-2-3-8-20-15-5-4-13(11-14(15)17-18-20)19-9-6-12(7-10-19)16(21)22/h4-5,11-12H,2-3,6-10H2,1H3,(H,21,22)
InChIKeyOSWUXEWENRENBK-UHFFFAOYSA-N
XLogP2.53
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-propan-2-ylbenzotriazol-5-yl)piperidine-4-carboxylic acid
CID 117099459
3-[(1-butylbenzotriazol-5-yl)-ethylamino]propanoic acid
CID 117099489
acetic acid;1-octylbenzotriazole
CID 175150004
1-ethyl-5-piperazin-1-ylbenzotriazole
CID 84726445
1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]piperidine-4-carboxylic acid
CID 117099425
(3S)-N-butyl-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide
CID 92890058
1-tridecylbenzotriazole
CID 21059042
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)piperidine-4-carboxylic acid
CID 117099421
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
silver 1-octylbenzotriazole
CID 19818350
N-propyl-4-(5-pyrrolidin-1-ylsulfonylbenzotriazol-1-yl)butanamide
CID 53077547

Frequently Asked Questions

What is the IUPAC name of 1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid (CID 117099457) is 1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid is CCCCn1nnc2cc(N3CCC(C(=O)O)CC3)ccc21.
What is the InChIKey of 1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid?
The InChIKey is OSWUXEWENRENBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-2-3-8-20-15-5-4-13(11-14(15)17-18-20)19-9-6-12(7-10-19)16(21)22/h4-5,11-12H,2-3,6-10H2,1H3,(H,21,22).
What are the key properties of 1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid?
1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid has a molecular weight of 302.38 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylbenzotriazol-5-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 117099457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).