2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane

C20H40N4O — CID 142326806

IUPAC2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane
SMILESCC.CCN1CCN(CC2(NC(=O)CC3CC3)CCN(C)CC2)CC1
InChIInChI=1S/C18H34N4O.C2H6/c1-3-21-10-12-22(13-11-21)15-18(6-8-20(2)9-7-18)19-17(23)14-16-4-5-16;1-2/h16H,3-15H2,1-2H3,(H,19,23);1-2H3
InChIKeyNBXCWMZJKRFWEO-UHFFFAOYSA-N
MW352.57 g/mol
LogP2.03
Rot. Bonds6

About 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane

2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane (PubChem CID 142326806) has the molecular formula C20H40N4O and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane
PubChem CID142326806
Molecular FormulaC20H40N4O
Molecular Weight352.57 g/mol
Exact Mass352.32
IUPAC Name2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane
SMILESCC.CCN1CCN(CC2(NC(=O)CC3CC3)CCN(C)CC2)CC1
InChIInChI=1S/C18H34N4O.C2H6/c1-3-21-10-12-22(13-11-21)15-18(6-8-20(2)9-7-18)19-17(23)14-16-4-5-16;1-2/h16H,3-15H2,1-2H3,(H,19,23);1-2H3
InChIKeyNBXCWMZJKRFWEO-UHFFFAOYSA-N
XLogP2.03
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]acetamide
CID 134505539
N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-2,3-dimethylbutanamide
CID 134435220
1-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]-3-(2-methylpropyl)urea
CID 134434518
2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide
CID 103166098
ethane;N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]-3-methylbutanamide
CID 142326915
2-(1-ethylpiperidin-4-yl)-N-propan-2-ylacetamide
CID 177202345
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593
1-[1-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]cyclopropyl]-3-methylurea
CID 138463249
2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-propan-2-ylpiperidin-4-yl]carbamate
CID 134505512
N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide
CID 114459158
N-[4-(morpholin-4-ylmethyl)-1-sulfanylpiperidin-4-yl]propanamide
CID 134515016

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane?
The IUPAC name of 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane (CID 142326806) is 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane.
What is the SMILES notation for 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane?
The canonical SMILES for 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane is CC.CCN1CCN(CC2(NC(=O)CC3CC3)CCN(C)CC2)CC1.
What is the InChIKey of 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane?
The InChIKey is NBXCWMZJKRFWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O.C2H6/c1-3-21-10-12-22(13-11-21)15-18(6-8-20(2)9-7-18)19-17(23)14-16-4-5-16;1-2/h16H,3-15H2,1-2H3,(H,19,23);1-2H3.
What are the key properties of 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane?
2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane has a molecular weight of 352.57 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]acetamide;ethane is sourced from PubChem (CID 142326806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).