N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide

C17H30N6O — CID 70704653

IUPACN-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2nnc(CN3CCCC3)n2CC)CC1
InChIInChI=1S/C17H30N6O/c1-3-18-17(24)22-11-7-14(8-12-22)16-20-19-15(23(16)4-2)13-21-9-5-6-10-21/h14H,3-13H2,1-2H3,(H,18,24)
InChIKeyXALFNNNCTYAYTB-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.80
Rot. Bonds5

About N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide

N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide (PubChem CID 70704653) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
PubChem CID70704653
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(c2nnc(CN3CCCC3)n2CC)CC1
InChIInChI=1S/C17H30N6O/c1-3-18-17(24)22-11-7-14(8-12-22)16-20-19-15(23(16)4-2)13-21-9-5-6-10-21/h14H,3-13H2,1-2H3,(H,18,24)
InChIKeyXALFNNNCTYAYTB-UHFFFAOYSA-N
XLogP1.80
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide (CID 70704653) is N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide is CCNC(=O)N1CCC(c2nnc(CN3CCCC3)n2CC)CC1.
What is the InChIKey of N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
The InChIKey is XALFNNNCTYAYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-3-18-17(24)22-11-7-14(8-12-22)16-20-19-15(23(16)4-2)13-21-9-5-6-10-21/h14H,3-13H2,1-2H3,(H,18,24).
What are the key properties of N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide?
N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-ethyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 70704653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).