N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide

C19H25N5O4 — CID 72847750

IUPACN-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCN(C(=O)c3ncn[nH]3)CC2)c(OC)c1
InChIInChI=1S/C19H25N5O4/c1-27-14-4-5-15(16(11-14)28-2)22-17(25)6-3-13-7-9-24(10-8-13)19(26)18-20-12-21-23-18/h4-5,11-13H,3,6-10H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyPBFHOHGFPNUFNP-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.09
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide

N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 72847750) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID72847750
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCN(C(=O)c3ncn[nH]3)CC2)c(OC)c1
InChIInChI=1S/C19H25N5O4/c1-27-14-4-5-15(16(11-14)28-2)22-17(25)6-3-13-7-9-24(10-8-13)19(26)18-20-12-21-23-18/h4-5,11-13H,3,6-10H2,1-2H3,(H,22,25)(H,20,21,23)
InChIKeyPBFHOHGFPNUFNP-UHFFFAOYSA-N
XLogP2.09
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-[1-(1H-pyrrole-3-carbonyl)piperidin-4-yl]propanamide
CID 72897212
N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
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1H-1,2,4-triazol-5-yl-[4-[(2,4,6-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 77082977
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CID 25367693
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CID 42526997
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CID 62210492
N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide
CID 26320938
N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]propanamide
CID 26395249
N-(2,4-dimethoxyphenyl)-N'-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanediamide
CID 50971628
N-(2,4-dimethoxyphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969570
(3S)-N-(2,4-dimethoxyphenyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 125130524
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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide (CID 72847750) is N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide is COc1ccc(NC(=O)CCC2CCN(C(=O)c3ncn[nH]3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is PBFHOHGFPNUFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-27-14-4-5-15(16(11-14)28-2)22-17(25)6-3-13-7-9-24(10-8-13)19(26)18-20-12-21-23-18/h4-5,11-13H,3,6-10H2,1-2H3,(H,22,25)(H,20,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide?
N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 387.44 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 72847750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).