N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide

C22H42N4O — CID 75386859

IUPACN-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCN(C3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H42N4O/c1-18(2)25-11-9-21(10-12-25)26-15-13-24(14-16-26)17-22(27)23(4)20-7-5-19(3)6-8-20/h18-21H,5-17H2,1-4H3
InChIKeyMCOJGNBQFPBDNA-UHFFFAOYSA-N
MW378.61 g/mol
LogP2.51
Rot. Bonds5

About N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide

N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 75386859) has the molecular formula C22H42N4O and a molecular weight of 378.61 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide
PubChem CID75386859
Molecular FormulaC22H42N4O
Molecular Weight378.61 g/mol
Exact Mass378.34
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCN(C3CCN(C(C)C)CC3)CC2)CC1
InChIInChI=1S/C22H42N4O/c1-18(2)25-11-9-21(10-12-25)26-15-13-24(14-16-26)17-22(27)23(4)20-7-5-19(3)6-8-20/h18-21H,5-17H2,1-4H3
InChIKeyMCOJGNBQFPBDNA-UHFFFAOYSA-N
XLogP2.51
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide (CID 75386859) is N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide is CC1CCC(N(C)C(=O)CN2CCN(C3CCN(C(C)C)CC3)CC2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is MCOJGNBQFPBDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4O/c1-18(2)25-11-9-21(10-12-25)26-15-13-24(14-16-26)17-22(27)23(4)20-7-5-19(3)6-8-20/h18-21H,5-17H2,1-4H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide?
N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 378.61 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 75386859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).