1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide

C20H20ClN5O2 — CID 45281181

IUPAC1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)CC1
InChIInChI=1S/C20H20ClN5O2/c1-13(27)25-9-7-14(8-10-25)20(28)22-17-12-19-18(11-16(17)21)23-26(24-19)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10H2,1H3,(H,22,28)
InChIKeyBRUGQHRTPNEKPN-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.27
Rot. Bonds3

About 1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide

1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide (PubChem CID 45281181) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide
PubChem CID45281181
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)CC1
InChIInChI=1S/C20H20ClN5O2/c1-13(27)25-9-7-14(8-10-25)20(28)22-17-12-19-18(11-16(17)21)23-26(24-19)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10H2,1H3,(H,22,28)
InChIKeyBRUGQHRTPNEKPN-UHFFFAOYSA-N
XLogP3.27
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloro-2-phenylbenzotriazol-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 45281184
1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17152279
2-(2-chlorophenoxy)-N-(6-chloro-2-phenylbenzotriazol-5-yl)acetamide
CID 4502278
1-(2,2-dimethylpropanoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17224280
N-(6-chloro-2-phenylbenzotriazol-5-yl)-4-nitrobenzamide
CID 4502104
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
1-(4-phenylbenzoyl)-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 126069700
1-acetyl-N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide
CID 9460845
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
1-acetyl-N-(2-tert-butylphenyl)piperidine-4-carboxamide
CID 110686050

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide (CID 45281181) is 1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)CC1.
What is the InChIKey of 1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide?
The InChIKey is BRUGQHRTPNEKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-13(27)25-9-7-14(8-10-25)20(28)22-17-12-19-18(11-16(17)21)23-26(24-19)15-5-3-2-4-6-15/h2-6,11-12,14H,7-10H2,1H3,(H,22,28).
What are the key properties of 1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide?
1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide has a molecular weight of 397.87 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(6-chloro-2-phenylbenzotriazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 45281181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).