N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide

C18H35N3O2 — CID 98765571

IUPACN-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(CCOC)[C@@H](C)C1)C1CCCCC1
InChIInChI=1S/C18H35N3O2/c1-4-21(17-8-6-5-7-9-17)18(22)15-19-10-11-20(12-13-23-3)16(2)14-19/h16-17H,4-15H2,1-3H3/t16-/m0/s1
InChIKeyAZXZYLCEPCXKFX-INIZCTEOSA-N
MW325.50 g/mol
LogP1.82
Rot. Bonds7

About N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide

N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide (PubChem CID 98765571) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
PubChem CID98765571
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(CCOC)[C@@H](C)C1)C1CCCCC1
InChIInChI=1S/C18H35N3O2/c1-4-21(17-8-6-5-7-9-17)18(22)15-19-10-11-20(12-13-23-3)16(2)14-19/h16-17H,4-15H2,1-3H3/t16-/m0/s1
InChIKeyAZXZYLCEPCXKFX-INIZCTEOSA-N
XLogP1.82
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 60689929
N-benzyl-2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-methylacetamide
CID 56802282
2-(3-aminopyrrolidin-1-yl)-N-cyclohexyl-N-ethylacetamide;hydrochloride
CID 119917689
2-[(3R)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 124840329
N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788933
N-cyclohexyl-N-ethyl-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 119928234
tert-butyl 4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 55591816
N-cyclopentyl-N-ethyl-2-piperazin-1-ylacetamide
CID 43541539
(2R)-N-(cyclohexylmethyl)-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]propanamide
CID 98761337
1-cyclohexyl-2-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 104750771
(2R)-4-(cyclopentylmethyl)-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124778699
2-(3-amino-5-methylpiperidin-1-yl)-N-cyclohexyl-N-ethylacetamide
CID 79992651

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide (CID 98765571) is N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(CCOC)[C@@H](C)C1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide?
The InChIKey is AZXZYLCEPCXKFX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-4-21(17-8-6-5-7-9-17)18(22)15-19-10-11-20(12-13-23-3)16(2)14-19/h16-17H,4-15H2,1-3H3/t16-/m0/s1.
What are the key properties of N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide?
N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide has a molecular weight of 325.50 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[(3S)-4-(2-methoxyethyl)-3-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 98765571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).