N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide

C18H25N5O2 — CID 51084731

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H25N5O2/c1-2-22-14-20-21-17(22)12-19-18(24)23-10-8-16(9-11-23)25-13-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3,(H,19,24)
InChIKeyVAGLLLJGYQEBFA-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.19
Rot. Bonds6

About N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide (PubChem CID 51084731) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
PubChem CID51084731
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C18H25N5O2/c1-2-22-14-20-21-17(22)12-19-18(24)23-10-8-16(9-11-23)25-13-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3,(H,19,24)
InChIKeyVAGLLLJGYQEBFA-UHFFFAOYSA-N
XLogP2.19
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide (CID 51084731) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
The InChIKey is VAGLLLJGYQEBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-22-14-20-21-17(22)12-19-18(24)23-10-8-16(9-11-23)25-13-15-6-4-3-5-7-15/h3-7,14,16H,2,8-13H2,1H3,(H,19,24).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylmethoxypiperidine-1-carboxamide is sourced from PubChem (CID 51084731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).