4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide

C22H41N5O2 — CID 78892011

IUPAC4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)NC(C)CN3CCCCC3)CC2)C1
InChIInChI=1S/C22H41N5O2/c1-18-13-19(2)15-27(14-18)21(28)17-25-9-11-26(12-10-25)22(29)23-20(3)16-24-7-5-4-6-8-24/h18-20H,4-17H2,1-3H3,(H,23,29)
InChIKeyVKRZZFJRYXFOGC-UHFFFAOYSA-N
MW407.60 g/mol
LogP1.69
Rot. Bonds5

About 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide

4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide (PubChem CID 78892011) has the molecular formula C22H41N5O2 and a molecular weight of 407.60 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide
PubChem CID78892011
Molecular FormulaC22H41N5O2
Molecular Weight407.60 g/mol
Exact Mass407.33
IUPAC Name4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)NC(C)CN3CCCCC3)CC2)C1
InChIInChI=1S/C22H41N5O2/c1-18-13-19(2)15-27(14-18)21(28)17-25-9-11-26(12-10-25)22(29)23-20(3)16-24-7-5-4-6-8-24/h18-20H,4-17H2,1-3H3,(H,23,29)
InChIKeyVKRZZFJRYXFOGC-UHFFFAOYSA-N
XLogP1.69
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

4-methyl-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115583839
N-(1-piperidin-1-ylpropan-2-yl)azepane-1-carboxamide
CID 115583840
N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 115579823
N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 115590525
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-[1-(5-methylfuran-2-yl)ethyl]piperazine-1-carboxamide
CID 87000118
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
3-hydroxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-1-carboxamide
CID 78892643
(3R,5S)-N-[(2R)-butan-2-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 29057369
1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 128925402
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-ethylpiperidine-1-carboxamide
CID 102555348
2-piperidin-1-yl-1-(3-propan-2-ylazetidin-1-yl)ethanone
CID 177010544
N-[1-(azepan-1-yl)propan-2-yl]-4-hydroxy-4-methylazepane-1-carboxamide
CID 122144357

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide (CID 78892011) is 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide is CC1CC(C)CN(C(=O)CN2CCN(C(=O)NC(C)CN3CCCCC3)CC2)C1.
What is the InChIKey of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide?
The InChIKey is VKRZZFJRYXFOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O2/c1-18-13-19(2)15-27(14-18)21(28)17-25-9-11-26(12-10-25)22(29)23-20(3)16-24-7-5-4-6-8-24/h18-20H,4-17H2,1-3H3,(H,23,29).
What are the key properties of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide?
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide has a molecular weight of 407.60 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(1-piperidin-1-ylpropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 78892011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).