(2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide

C19H37N3O2 — CID 98761401

IUPAC(2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
SMILESCCOCCN1CCN([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1CC
InChIInChI=1S/C19H37N3O2/c1-4-18-15-22(12-11-21(18)13-14-24-5-2)16(3)19(23)20-17-9-7-6-8-10-17/h16-18H,4-15H2,1-3H3,(H,20,23)/t16-,18+/m1/s1
InChIKeyCHTJYEPQWMINTJ-AEFFLSMTSA-N
MW339.52 g/mol
LogP2.26
Rot. Bonds8

About (2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide

(2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide (PubChem CID 98761401) has the molecular formula C19H37N3O2 and a molecular weight of 339.52 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
PubChem CID98761401
Molecular FormulaC19H37N3O2
Molecular Weight339.52 g/mol
Exact Mass339.29
IUPAC Name(2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
SMILESCCOCCN1CCN([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1CC
InChIInChI=1S/C19H37N3O2/c1-4-18-15-22(12-11-21(18)13-14-24-5-2)16(3)19(23)20-17-9-7-6-8-10-17/h16-18H,4-15H2,1-3H3,(H,20,23)/t16-,18+/m1/s1
InChIKeyCHTJYEPQWMINTJ-AEFFLSMTSA-N
XLogP2.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
CID 98761402
N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide
CID 95331862
2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]propanoic acid
CID 119135356
(2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95766473
(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 124778877
(2S)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95332945
(2R)-1-(azepan-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propan-1-one
CID 98761380
1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704580
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone;dihydrochloride
CID 119880457
(2R)-N-cyclohexyl-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 30988484
1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 95331832
(2S)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide
CID 95316608

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide (CID 98761401) is (2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide is CCOCCN1CCN([C@H](C)C(=O)NC2CCCCC2)C[C@@H]1CC.
What is the InChIKey of (2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide?
The InChIKey is CHTJYEPQWMINTJ-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H37N3O2/c1-4-18-15-22(12-11-21(18)13-14-24-5-2)16(3)19(23)20-17-9-7-6-8-10-17/h16-18H,4-15H2,1-3H3,(H,20,23)/t16-,18+/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide?
(2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide has a molecular weight of 339.52 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide is sourced from PubChem (CID 98761401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).