2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide

C19H36N4O2 — CID 142467296

IUPAC2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(CCN2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-15(2)18(24)20-17-5-7-21(8-6-17)9-10-22-11-13-23(14-12-22)19(25)16(3)4/h15-17H,5-14H2,1-4H3,(H,20,24)
InChIKeyLKLBJHOMYMGPGW-UHFFFAOYSA-N
MW352.52 g/mol
LogP1.02
Rot. Bonds6

About 2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide

2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide (PubChem CID 142467296) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide
PubChem CID142467296
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide
SMILESCC(C)C(=O)NC1CCN(CCN2CCN(C(=O)C(C)C)CC2)CC1
InChIInChI=1S/C19H36N4O2/c1-15(2)18(24)20-17-5-7-21(8-6-17)9-10-22-11-13-23(14-12-22)19(25)16(3)4/h15-17H,5-14H2,1-4H3,(H,20,24)
InChIKeyLKLBJHOMYMGPGW-UHFFFAOYSA-N
XLogP1.02
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(S)-Amino-1-piperidin-1-yl-4-(piperidin-4-ylamino)-butan-1-one
CID 9970277
1-(3,6-Diazabicyclo[3.1.1]heptan-3-yl)-2-methylpropan-1-one
CID 53242130
1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
CID 6467229
3-[2-(4-Cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
CID 24791447
(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
1-butanoyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501182
1-(2,2-dimethylpropanoyl)-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501765
1-acetyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501889
4-N-[2-(4-methylpiperidin-1-yl)ethyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 53506473
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
(6S)-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359788

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide?
The IUPAC name of 2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide (CID 142467296) is 2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide is CC(C)C(=O)NC1CCN(CCN2CCN(C(=O)C(C)C)CC2)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide?
The InChIKey is LKLBJHOMYMGPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-15(2)18(24)20-17-5-7-21(8-6-17)9-10-22-11-13-23(14-12-22)19(25)16(3)4/h15-17H,5-14H2,1-4H3,(H,20,24).
What are the key properties of 2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide?
2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide has a molecular weight of 352.52 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 142467296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).