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

C23H34N4O2 — CID 42847952

IUPAC2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccccc1N1CCC(NC(=O)C2CCC2)CC1
InChIInChI=1S/C23H34N4O2/c28-22(18-6-5-7-18)25-19-10-15-27(16-11-19)21-9-2-1-8-20(21)23(29)24-12-17-26-13-3-4-14-26/h1-2,8-9,18-19H,3-7,10-17H2,(H,24,29)(H,25,28)
InChIKeyXPMZOTXBJRTFSM-UHFFFAOYSA-N
MW398.55 g/mol
LogP2.40
Rot. Bonds7

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

2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 42847952) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID42847952
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccccc1N1CCC(NC(=O)C2CCC2)CC1
InChIInChI=1S/C23H34N4O2/c28-22(18-6-5-7-18)25-19-10-15-27(16-11-19)21-9-2-1-8-20(21)23(29)24-12-17-26-13-3-4-14-26/h1-2,8-9,18-19H,3-7,10-17H2,(H,24,29)(H,25,28)
InChIKeyXPMZOTXBJRTFSM-UHFFFAOYSA-N
XLogP2.40
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methylbutanoylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46037280
2-[4-[(3-chlorobenzoyl)amino]piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 42847963
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(cyclopropylmethyl)benzamide
CID 42848145
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037903
2-[4-[[2-(4-chlorophenoxy)acetyl]amino]piperidin-1-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 46037780
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 42847997
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683
2-(2-pyrrolidin-1-ylethylcarbamoyl)benzoic acid;hydrate
CID 21152769
2-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 24719003
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-[1-[2-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 42848378

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 42847952) is 2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(NCCN1CCCC1)c1ccccc1N1CCC(NC(=O)C2CCC2)CC1.
What is the InChIKey of 2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is XPMZOTXBJRTFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c28-22(18-6-5-7-18)25-19-10-15-27(16-11-19)21-9-2-1-8-20(21)23(29)24-12-17-26-13-3-4-14-26/h1-2,8-9,18-19H,3-7,10-17H2,(H,24,29)(H,25,28).
What are the key properties of 2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 398.55 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutanecarbonylamino)piperidin-1-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 42847952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).