(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide

C19H25N9O2 — CID 97257410

IUPAC(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESCCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)C1
InChIInChI=1S/C19H25N9O2/c1-4-26-12-20-23-18(26)14-6-5-9-27(11-14)19(29)21-15-7-8-17(30-3)16(10-15)28-13(2)22-24-25-28/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H,21,29)/t14-/m0/s1
InChIKeyJXENJKBFQBFTEL-AWEZNQCLSA-N
MW411.47 g/mol
LogP2.00
Rot. Bonds5

About (3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide

(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 97257410) has the molecular formula C19H25N9O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is (3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID97257410
Molecular FormulaC19H25N9O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC Name(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
SMILESCCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)C1
InChIInChI=1S/C19H25N9O2/c1-4-26-12-20-23-18(26)14-6-5-9-27(11-14)19(29)21-15-7-8-17(30-3)16(10-15)28-13(2)22-24-25-28/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H,21,29)/t14-/m0/s1
InChIKeyJXENJKBFQBFTEL-AWEZNQCLSA-N
XLogP2.00
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-[(R)-methylsulfinyl]phenyl]piperidine-1-carboxamide
CID 97334567
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97349988
(3S)-1-ethyl-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95295849
(3R)-3-ethyl-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 95320044
(3R)-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97258239
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 119313715
N-(2-ethyl-6-methylphenyl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75443272
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119313704
N-(1-tert-butylpyrazol-4-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 75476594
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 136519607
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-(oxolan-3-yl)acetamide
CID 136527239
(2S)-2-amino-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 119313707

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide (CID 97257410) is (3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide is CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)C1.
What is the InChIKey of (3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is JXENJKBFQBFTEL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25N9O2/c1-4-26-12-20-23-18(26)14-6-5-9-27(11-14)19(29)21-15-7-8-17(30-3)16(10-15)28-13(2)22-24-25-28/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H,21,29)/t14-/m0/s1.
What are the key properties of (3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide?
(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-ethyl-1,2,4-triazol-3-yl)-N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 97257410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).