1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide

C22H25N5O3 — CID 20932878

IUPAC1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccc(OC)cc4)CC3)ccc21
InChIInChI=1S/C22H25N5O3/c1-3-27-20-9-4-16(14-19(20)24-25-27)22(29)26-12-10-15(11-13-26)21(28)23-17-5-7-18(30-2)8-6-17/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,28)
InChIKeyIOAPEHBFWFZXOZ-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.95
Rot. Bonds5

About 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide

1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 20932878) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
PubChem CID20932878
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccc(OC)cc4)CC3)ccc21
InChIInChI=1S/C22H25N5O3/c1-3-27-20-9-4-16(14-19(20)24-25-27)22(29)26-12-10-15(11-13-26)21(28)23-17-5-7-18(30-2)8-6-17/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,28)
InChIKeyIOAPEHBFWFZXOZ-UHFFFAOYSA-N
XLogP2.95
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(1-ethylbenzotriazole-5-carbonyl)piperidine-4-carboxylate
CID 4785627
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60958042
1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 20932872
N-(4-chlorophenyl)-1-(1-cyclopentylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 20932899
N-(4-tert-butylphenyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 113006982
(1-ethylbenzotriazol-5-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900282
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 38387818
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
methyl 4-[[1-(3-methoxybenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008009
(1-ethylbenzotriazol-5-yl)-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 38005043
(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 18105296

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide (CID 20932878) is 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide is CCn1nnc2cc(C(=O)N3CCC(C(=O)Nc4ccc(OC)cc4)CC3)ccc21.
What is the InChIKey of 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is IOAPEHBFWFZXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-3-27-20-9-4-16(14-19(20)24-25-27)22(29)26-12-10-15(11-13-26)21(28)23-17-5-7-18(30-2)8-6-17/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,28).
What are the key properties of 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide?
1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylbenzotriazole-5-carbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 20932878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).