N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide

C23H39N5O2 — CID 78841689

IUPACN-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESCC1CCC(C#N)(N(C)C(=O)C(C)N2CCN(CC(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C23H39N5O2/c1-19-7-9-23(18-24,10-8-19)25(3)22(30)20(2)27-15-13-26(14-16-27)17-21(29)28-11-5-4-6-12-28/h19-20H,4-17H2,1-3H3
InChIKeyRSLICKRPUHDCID-UHFFFAOYSA-N
MW417.60 g/mol
LogP1.94
Rot. Bonds5

About N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide

N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide (PubChem CID 78841689) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
PubChem CID78841689
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
SMILESCC1CCC(C#N)(N(C)C(=O)C(C)N2CCN(CC(=O)N3CCCCC3)CC2)CC1
InChIInChI=1S/C23H39N5O2/c1-19-7-9-23(18-24,10-8-19)25(3)22(30)20(2)27-15-13-26(14-16-27)17-21(29)28-11-5-4-6-12-28/h19-20H,4-17H2,1-3H3
InChIKeyRSLICKRPUHDCID-UHFFFAOYSA-N
XLogP1.94
TPSA70.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide with MolForge

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Related Compounds

methyl 4-[1-[(1-cyano-4-methylcyclohexyl)-methylamino]-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 78900339
N-(1-cyanocyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 55462141
N-(1-cyano-4-methylcyclohexyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
CID 78841981
2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 62309888
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62310681
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
N-cyclohexyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 55461906
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]butanenitrile
CID 63339094
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
(2S)-N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propanamide
CID 30172737
N-(1-cyanocyclohexyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78962673

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide (CID 78841689) is N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide is CC1CCC(C#N)(N(C)C(=O)C(C)N2CCN(CC(=O)N3CCCCC3)CC2)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
The InChIKey is RSLICKRPUHDCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-19-7-9-23(18-24,10-8-19)25(3)22(30)20(2)27-15-13-26(14-16-27)17-21(29)28-11-5-4-6-12-28/h19-20H,4-17H2,1-3H3.
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide?
N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide has a molecular weight of 417.60 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 78841689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).