N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide

C18H34N4O2 — CID 75507547

IUPACN-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(C(C)C(=O)N2CCCCC2)CC1)C(C)C
InChIInChI=1S/C18H34N4O2/c1-5-22(15(2)3)18(24)21-13-11-19(12-14-21)16(4)17(23)20-9-7-6-8-10-20/h15-16H,5-14H2,1-4H3
InChIKeyUBCKYEAVZYCYHK-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.86
Rot. Bonds4

About N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide

N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 75507547) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID75507547
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC NameN-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide
SMILESCCN(C(=O)N1CCN(C(C)C(=O)N2CCCCC2)CC1)C(C)C
InChIInChI=1S/C18H34N4O2/c1-5-22(15(2)3)18(24)21-13-11-19(12-14-21)16(4)17(23)20-9-7-6-8-10-20/h15-16H,5-14H2,1-4H3
InChIKeyUBCKYEAVZYCYHK-UHFFFAOYSA-N
XLogP1.86
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-[2-(diethylamino)acetyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95295952
(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 174538703
4-[1-(cyclopropylamino)-1-oxopropan-2-yl]-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 75523124
2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898989
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
(2S)-1-(azepan-1-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 95320713
4-amino-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pentan-1-one
CID 120565930
1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 86890817
4-(methylamino)-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]butan-1-one
CID 119898937
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidin-4-one
CID 43083770
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide (CID 75507547) is N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide is CCN(C(=O)N1CCN(C(C)C(=O)N2CCCCC2)CC1)C(C)C.
What is the InChIKey of N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is UBCKYEAVZYCYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-5-22(15(2)3)18(24)21-13-11-19(12-14-21)16(4)17(23)20-9-7-6-8-10-20/h15-16H,5-14H2,1-4H3.
What are the key properties of N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide?
N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 75507547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).