4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide

C16H26F2N4O2 — CID 146123613

IUPAC4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NC2CCC(F)(F)CC2)CC1)NC1CC1
InChIInChI=1S/C16H26F2N4O2/c17-16(18)5-3-13(4-6-16)20-15(24)22-9-7-21(8-10-22)11-14(23)19-12-1-2-12/h12-13H,1-11H2,(H,19,23)(H,20,24)
InChIKeyNPHQTZGVJGCKGK-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.17
Rot. Bonds4

About 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide

4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide (PubChem CID 146123613) has the molecular formula C16H26F2N4O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide
PubChem CID146123613
Molecular FormulaC16H26F2N4O2
Molecular Weight344.41 g/mol
Exact Mass344.20
IUPAC Name4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)NC2CCC(F)(F)CC2)CC1)NC1CC1
InChIInChI=1S/C16H26F2N4O2/c17-16(18)5-3-13(4-6-16)20-15(24)22-9-7-21(8-10-22)11-14(23)19-12-1-2-12/h12-13H,1-11H2,(H,19,23)(H,20,24)
InChIKeyNPHQTZGVJGCKGK-UHFFFAOYSA-N
XLogP1.17
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,4-difluorocyclohexyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 171662917
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-cyclopropylacetamide;dihydrochloride
CID 119835232
N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide
CID 121021883
N-cyclopropyl-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide
CID 120703373
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 110709709
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398
N-cyclopropyl-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 110709694
2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 95934647
N-(2-bromophenyl)-4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 86986351
N-cyclopropyl-2-[4-(3-propan-2-yloxypropanoyl)piperazin-1-yl]acetamide
CID 86929481
4-[2-(cyclopropylamino)-2-oxoethyl]-N-[4-(difluoromethoxy)phenyl]piperazine-1-carboxamide
CID 86987372

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide (CID 146123613) is 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide is O=C(CN1CCN(C(=O)NC2CCC(F)(F)CC2)CC1)NC1CC1.
What is the InChIKey of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide?
The InChIKey is NPHQTZGVJGCKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N4O2/c17-16(18)5-3-13(4-6-16)20-15(24)22-9-7-21(8-10-22)11-14(23)19-12-1-2-12/h12-13H,1-11H2,(H,19,23)(H,20,24).
What are the key properties of 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide?
4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide has a molecular weight of 344.41 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropylamino)-2-oxoethyl]-N-(4,4-difluorocyclohexyl)piperazine-1-carboxamide is sourced from PubChem (CID 146123613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).