N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide

C25H29N5O — CID 51133968

IUPACN-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(c2nc(C3CC3)n[nH]2)CC1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N5O/c31-23(30(22-9-5-2-6-10-22)17-19-7-3-1-4-8-19)18-29-15-13-21(14-16-29)25-26-24(27-28-25)20-11-12-20/h1-10,20-21H,11-18H2,(H,26,27,28)
InChIKeyKSGSTDFKGIIYBM-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.09
Rot. Bonds7

About N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide

N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide (PubChem CID 51133968) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide
PubChem CID51133968
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC NameN-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide
SMILESO=C(CN1CCC(c2nc(C3CC3)n[nH]2)CC1)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N5O/c31-23(30(22-9-5-2-6-10-22)17-19-7-3-1-4-8-19)18-29-15-13-21(14-16-29)25-26-24(27-28-25)20-11-12-20/h1-10,20-21H,11-18H2,(H,26,27,28)
InChIKeyKSGSTDFKGIIYBM-UHFFFAOYSA-N
XLogP4.09
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide?
The IUPAC name of N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide (CID 51133968) is N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide is O=C(CN1CCC(c2nc(C3CC3)n[nH]2)CC1)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide?
The InChIKey is KSGSTDFKGIIYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c31-23(30(22-9-5-2-6-10-22)17-19-7-3-1-4-8-19)18-29-15-13-21(14-16-29)25-26-24(27-28-25)20-11-12-20/h1-10,20-21H,11-18H2,(H,26,27,28).
What are the key properties of N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide?
N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide has a molecular weight of 415.54 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 51133968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).