N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane

C32H69N5O3 — CID 142385959

IUPACN-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane
SMILESCC.CC.CC.CNCC(C)CC(C)CN1CCC(OC2CC(NC(=O)CN3CCN(CCOC)CC3)C2)CC1
InChIInChI=1S/C26H51N5O3.3C2H6/c1-21(18-27-3)15-22(2)19-30-7-5-24(6-8-30)34-25-16-23(17-25)28-26(32)20-31-11-9-29(10-12-31)13-14-33-4;3*1-2/h21-25,27H,5-20H2,1-4H3,(H,28,32);3*1-2H3
InChIKeyXBRFKRYIHGVGMS-UHFFFAOYSA-N
MW571.94 g/mol
LogP4.34
Rot. Bonds14

About N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane

N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane (PubChem CID 142385959) has the molecular formula C32H69N5O3 and a molecular weight of 571.94 g/mol. Its IUPAC name is N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane
PubChem CID142385959
Molecular FormulaC32H69N5O3
Molecular Weight571.94 g/mol
Exact Mass571.54
IUPAC NameN-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane
SMILESCC.CC.CC.CNCC(C)CC(C)CN1CCC(OC2CC(NC(=O)CN3CCN(CCOC)CC3)C2)CC1
InChIInChI=1S/C26H51N5O3.3C2H6/c1-21(18-27-3)15-22(2)19-30-7-5-24(6-8-30)34-25-16-23(17-25)28-26(32)20-31-11-9-29(10-12-31)13-14-33-4;3*1-2/h21-25,27H,5-20H2,1-4H3,(H,28,32);3*1-2H3
InChIKeyXBRFKRYIHGVGMS-UHFFFAOYSA-N
XLogP4.34
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.94
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(2-morpholinoethyl)oxalamide
CID 16886595
2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-[2-[2-(propylamino)ethoxy]ethyl]acetamide
CID 118052217
N-[3-(1-ethylpiperidin-4-yl)oxycyclobutyl]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide
CID 135279159
2-[1-[(2S)-4-methyl-2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]oxyacetamide
CID 138685564
2-[1-[4-Methyl-2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]pentanoyl]piperidin-4-yl]oxyacetamide
CID 138685570
2-methyl-N-[3-[2-[4-(2-methylbutyl)piperazin-1-yl]ethoxy]cyclobutyl]propanamide
CID 138728536
2-(diethylamino)-N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide
CID 139356811
N-[3-[1-[5-(tert-butylamino)-2,4-dimethylpentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]acetamide
CID 139475581
N-[3-[1-[4-(ethoxymethyl)-2-methylhexyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]acetamide
CID 142367530
N-[3-[1-(4-amino-2-methyl-5-propoxypentyl)piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane
CID 142367676
ethane;2-[4-(2-methoxyethyl)piperazin-1-yl]-N-[3-[1-[2,2,4-trimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]acetamide
CID 142368277
N-[3-[1-[4-amino-2-methyl-5-(propylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane
CID 142368332

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane?
The IUPAC name of N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane (CID 142385959) is N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane.
What is the SMILES notation for N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane?
The canonical SMILES for N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane is CC.CC.CC.CNCC(C)CC(C)CN1CCC(OC2CC(NC(=O)CN3CCN(CCOC)CC3)C2)CC1.
What is the InChIKey of N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane?
The InChIKey is XBRFKRYIHGVGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N5O3.3C2H6/c1-21(18-27-3)15-22(2)19-30-7-5-24(6-8-30)34-25-16-23(17-25)28-26(32)20-31-11-9-29(10-12-31)13-14-33-4;3*1-2/h21-25,27H,5-20H2,1-4H3,(H,28,32);3*1-2H3.
What are the key properties of N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane?
N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane has a molecular weight of 571.94 g/mol, XLogP of 4.34, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2,4-dimethyl-5-(methylamino)pentyl]piperidin-4-yl]oxycyclobutyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide;ethane is sourced from PubChem (CID 142385959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).