N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C18H25N5O2 — CID 75512643

IUPACN-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESCCC(COc1ccccc1)NC(=O)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C18H25N5O2/c1-2-15(12-25-16-6-4-3-5-7-16)21-18(24)23-10-8-14(9-11-23)17-19-13-20-22-17/h3-7,13-15H,2,8-12H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyKKPDTWMCKUNERB-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.55
Rot. Bonds6

About N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 75512643) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID75512643
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESCCC(COc1ccccc1)NC(=O)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C18H25N5O2/c1-2-15(12-25-16-6-4-3-5-7-16)21-18(24)23-10-8-14(9-11-23)17-19-13-20-22-17/h3-7,13-15H,2,8-12H2,1H3,(H,21,24)(H,19,20,22)
InChIKeyKKPDTWMCKUNERB-UHFFFAOYSA-N
XLogP2.55
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(4-methylphenyl)butan-2-yl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 96995556
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 96981455
N-[(1R)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 96995548
N-(1-benzyl-2-oxo-3-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 99696808
2-methylsulfanyl-2-phenyl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 136513251
1-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 131916496
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
N-[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 122570918
N-[(4-ethoxy-3-methylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75468454
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-phenoxybutan-2-yl]acetamide
CID 99849967
[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 70749061
N-[1-(dimethylamino)butan-2-yl]-4-(2-methoxyphenyl)piperidine-1-carboxamide
CID 122559467

Frequently Asked Questions

What is the IUPAC name of N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 75512643) is N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is CCC(COc1ccccc1)NC(=O)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is KKPDTWMCKUNERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-15(12-25-16-6-4-3-5-7-16)21-18(24)23-10-8-14(9-11-23)17-19-13-20-22-17/h3-7,13-15H,2,8-12H2,1H3,(H,21,24)(H,19,20,22).
What are the key properties of N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenoxybutan-2-yl)-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75512643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).