2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C23H36N4O2 — CID 46037280

IUPAC2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(C)CC(=O)NC1CCN(c2ccccc2C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C23H36N4O2/c1-18(2)17-22(28)25-19-9-14-27(15-10-19)21-8-4-3-7-20(21)23(29)24-11-16-26-12-5-6-13-26/h3-4,7-8,18-19H,5-6,9-17H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyVRCUZDGTTWRYOV-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.64
Rot. Bonds8

About 2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 46037280) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID46037280
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCC(C)CC(=O)NC1CCN(c2ccccc2C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C23H36N4O2/c1-18(2)17-22(28)25-19-9-14-27(15-10-19)21-8-4-3-7-20(21)23(29)24-11-16-26-12-5-6-13-26/h3-4,7-8,18-19H,5-6,9-17H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyVRCUZDGTTWRYOV-UHFFFAOYSA-N
XLogP2.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 42847952
2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46037780
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 42847963
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988
N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide
CID 46038716
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-[3-(dimethylamino)propyl]-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848459
N-(furan-2-ylmethyl)-N-methyl-2-[4-(3-methylbutanoylamino)piperidin-1-yl]benzamide
CID 42848287
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 46037893

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 46037280) is 2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is CC(C)CC(=O)NC1CCN(c2ccccc2C(=O)NCCN2CCCC2)CC1.
What is the InChIKey of 2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is VRCUZDGTTWRYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-18(2)17-22(28)25-19-9-14-27(15-10-19)21-8-4-3-7-20(21)23(29)24-11-16-26-12-5-6-13-26/h3-4,7-8,18-19H,5-6,9-17H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of 2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 400.57 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 46037280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).