N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C19H25N5O — CID 75512640

IUPACN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCc2ccccc21)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C19H25N5O/c25-19(24-11-9-15(10-12-24)18-20-13-21-23-18)22-17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,13,15,17H,2,4,6,8-12H2,(H,22,25)(H,20,21,23)
InChIKeyTXTSLOPQOBTGBC-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.16
Rot. Bonds2

About N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 75512640) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID75512640
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCCCc2ccccc21)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C19H25N5O/c25-19(24-11-9-15(10-12-24)18-20-13-21-23-18)22-17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,13,15,17H,2,4,6,8-12H2,(H,22,25)(H,20,21,23)
InChIKeyTXTSLOPQOBTGBC-UHFFFAOYSA-N
XLogP3.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
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CID 95351345
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
1-N-cyclopentyl-3-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazine-1,3-dicarboxamide
CID 69233352
3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
CID 110882568
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51957654
N-(1H-1,2,4-triazol-5-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 54884775
N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75512643
4-(1,2-oxazol-3-ylmethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-1-carboxamide
CID 95907905
4-(7-chloroquinolin-4-yl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)piperazine-1-carboxamide
CID 58864149
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785079
N-(2,3-dihydro-1H-inden-1-yl)-3-hydroxypiperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 75512640) is N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(NC1CCCCc2ccccc21)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is TXTSLOPQOBTGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-19(24-11-9-15(10-12-24)18-20-13-21-23-18)22-17-8-4-2-6-14-5-1-3-7-16(14)17/h1,3,5,7,13,15,17H,2,4,6,8-12H2,(H,22,25)(H,20,21,23).
What are the key properties of N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75512640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).