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

C16H31N3O2 — CID 98761402

IUPAC(2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
SMILESCCOCCN1CCN([C@H](C)C(=O)NC2CC2)C[C@@H]1CC
InChIInChI=1S/C16H31N3O2/c1-4-15-12-19(9-8-18(15)10-11-21-5-2)13(3)16(20)17-14-6-7-14/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,15+/m1/s1
InChIKeyOBPMBUCLZIIYDH-HIFRSBDPSA-N
MW297.44 g/mol
LogP1.09
Rot. Bonds8

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

(2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide (PubChem CID 98761402) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
PubChem CID98761402
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name(2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
SMILESCCOCCN1CCN([C@H](C)C(=O)NC2CC2)C[C@@H]1CC
InChIInChI=1S/C16H31N3O2/c1-4-15-12-19(9-8-18(15)10-11-21-5-2)13(3)16(20)17-14-6-7-14/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,15+/m1/s1
InChIKeyOBPMBUCLZIIYDH-HIFRSBDPSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.09
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-cyclohexyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
CID 98761401
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
(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 124778877
1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704580
(2S)-2-[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95332945
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone;dihydrochloride
CID 119880457
(2S)-N-cyclopropyl-2-[(2R)-2-ethylmorpholin-4-yl]propanamide
CID 95282446
(2S)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(4-fluorophenyl)acetamide
CID 95316608
1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 95331832
(2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95766473
[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119880491

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide (CID 98761402) is (2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide is CCOCCN1CCN([C@H](C)C(=O)NC2CC2)C[C@@H]1CC.
What is the InChIKey of (2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide?
The InChIKey is OBPMBUCLZIIYDH-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-15-12-19(9-8-18(15)10-11-21-5-2)13(3)16(20)17-14-6-7-14/h13-15H,4-12H2,1-3H3,(H,17,20)/t13-,15+/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide?
(2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide has a molecular weight of 297.44 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide is sourced from PubChem (CID 98761402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).