[(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone

C16H26N2O2 — CID 95774523

IUPAC[(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)[C@@H](CC)CN1C(=O)C1CC1
InChIInChI=1S/C16H26N2O2/c1-3-13-9-18(16(20)12-7-8-12)14(4-2)10-17(13)15(19)11-5-6-11/h11-14H,3-10H2,1-2H3/t13-,14+
InChIKeyIEUHEAKMSMSRFB-OKILXGFUSA-N
MW278.40 g/mol
LogP2.03
Rot. Bonds4

About [(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone

[(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone (PubChem CID 95774523) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone
PubChem CID95774523
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name[(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone
SMILESCC[C@@H]1CN(C(=O)C2CC2)[C@@H](CC)CN1C(=O)C1CC1
InChIInChI=1S/C16H26N2O2/c1-3-13-9-18(16(20)12-7-8-12)14(4-2)10-17(13)15(19)11-5-6-11/h11-14H,3-10H2,1-2H3/t13-,14+
InChIKeyIEUHEAKMSMSRFB-OKILXGFUSA-N
XLogP2.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-2,5-diethylpiperazin-1-yl]ethanone;hydrochloride
CID 120991549
cyclobutyl-(2,5-diethylpiperazin-1-yl)methanone
CID 64978279
4-(2-ethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782284
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[4-(aminomethyl)cyclohexyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62806035
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
(2S,5R)-4-(3,3-difluorocyclobutanecarbonyl)-5-ethyl-2-methylpiperazine-1-carboxylic acid
CID 170433900
(3S,6S)-6-ethylpiperidine-1,3-dicarboxylic acid
CID 123940472
(5-ethyl-2-methylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119682273
(4-aminocyclohexyl)-(3-ethylmorpholin-4-yl)methanone
CID 60847443

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone (CID 95774523) is [(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone is CC[C@@H]1CN(C(=O)C2CC2)[C@@H](CC)CN1C(=O)C1CC1.
What is the InChIKey of [(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone?
The InChIKey is IEUHEAKMSMSRFB-OKILXGFUSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-13-9-18(16(20)12-7-8-12)14(4-2)10-17(13)15(19)11-5-6-11/h11-14H,3-10H2,1-2H3/t13-,14+.
What are the key properties of [(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone?
[(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone has a molecular weight of 278.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-4-(cyclopropanecarbonyl)-2,5-diethylpiperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 95774523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).