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

C16H28N6O2 — CID 71892915

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H28N6O2/c1-2-21-13-18-19-15(21)11-17-16(23)22-5-3-14(4-6-22)12-20-7-9-24-10-8-20/h13-14H,2-12H2,1H3,(H,17,23)
InChIKeyOQWQMARZRNZSKD-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.55
Rot. Bonds5

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (PubChem CID 71892915) has the molecular formula C16H28N6O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
PubChem CID71892915
Molecular FormulaC16H28N6O2
Molecular Weight336.44 g/mol
Exact Mass336.23
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H28N6O2/c1-2-21-13-18-19-15(21)11-17-16(23)22-5-3-14(4-6-22)12-20-7-9-24-10-8-20/h13-14H,2-12H2,1H3,(H,17,23)
InChIKeyOQWQMARZRNZSKD-UHFFFAOYSA-N
XLogP0.55
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide (CID 71892915) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
The InChIKey is OQWQMARZRNZSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O2/c1-2-21-13-18-19-15(21)11-17-16(23)22-5-3-14(4-6-22)12-20-7-9-24-10-8-20/h13-14H,2-12H2,1H3,(H,17,23).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71892915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).