N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide

C20H27N5O3 — CID 45194693

IUPACN-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)C(C)n3cncn3)CC2)c1
InChIInChI=1S/C20H27N5O3/c1-15(25-14-21-13-22-25)20(27)24-10-8-16(9-11-24)6-7-19(26)23-17-4-3-5-18(12-17)28-2/h3-5,12-16H,6-11H2,1-2H3,(H,23,26)
InChIKeyBUSJCNSNVCRXBZ-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.51
Rot. Bonds7

About N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide

N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide (PubChem CID 45194693) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
PubChem CID45194693
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC NameN-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
SMILESCOc1cccc(NC(=O)CCC2CCN(C(=O)C(C)n3cncn3)CC2)c1
InChIInChI=1S/C20H27N5O3/c1-15(25-14-21-13-22-25)20(27)24-10-8-16(9-11-24)6-7-19(26)23-17-4-3-5-18(12-17)28-2/h3-5,12-16H,6-11H2,1-2H3,(H,23,26)
InChIKeyBUSJCNSNVCRXBZ-UHFFFAOYSA-N
XLogP2.51
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide (CID 45194693) is N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide is COc1cccc(NC(=O)CCC2CCN(C(=O)C(C)n3cncn3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
The InChIKey is BUSJCNSNVCRXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-15(25-14-21-13-22-25)20(27)24-10-8-16(9-11-24)6-7-19(26)23-17-4-3-5-18(12-17)28-2/h3-5,12-16H,6-11H2,1-2H3,(H,23,26).
What are the key properties of N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide?
N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide has a molecular weight of 385.47 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[1-[2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 45194693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).