N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide

C14H26N4O2S — CID 114626929

IUPACN-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)CSC2CCNCC2)CC1
InChIInChI=1S/C14H26N4O2S/c1-2-16-14(20)18-9-7-17(8-10-18)13(19)11-21-12-3-5-15-6-4-12/h12,15H,2-11H2,1H3,(H,16,20)
InChIKeyDAADUBVNAWLUQK-UHFFFAOYSA-N
MW314.46 g/mol
LogP0.35
Rot. Bonds4

About N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide

N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide (PubChem CID 114626929) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide
PubChem CID114626929
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)CSC2CCNCC2)CC1
InChIInChI=1S/C14H26N4O2S/c1-2-16-14(20)18-9-7-17(8-10-18)13(19)11-21-12-3-5-15-6-4-12/h12,15H,2-11H2,1H3,(H,16,20)
InChIKeyDAADUBVNAWLUQK-UHFFFAOYSA-N
XLogP0.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-piperidin-4-yloxyacetyl)piperazine-1-carboxamide
CID 63876904
N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide
CID 114626952
N-ethylpiperazine-1-carboxamide
CID 9207783
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114678293
N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 114628005
1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone
CID 71777928
4-(2-bromoacetyl)-N-ethylpiperazine-1-carboxamide
CID 63679902
N-ethyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazine-1-carboxamide;hydrochloride
CID 120980560
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627230
1-piperidin-4-ylsulfanylpropan-2-one
CID 19936634
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-piperidin-4-ylsulfanylethanone
CID 114626671
N-(2-ethylbutyl)-2-piperidin-4-ylsulfanylacetamide
CID 114628110

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide (CID 114626929) is N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)CSC2CCNCC2)CC1.
What is the InChIKey of N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide?
The InChIKey is DAADUBVNAWLUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-2-16-14(20)18-9-7-17(8-10-18)13(19)11-21-12-3-5-15-6-4-12/h12,15H,2-11H2,1H3,(H,16,20).
What are the key properties of N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide?
N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide has a molecular weight of 314.46 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide is sourced from PubChem (CID 114626929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).