N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide

C23H30N4O2 — CID 42848447

IUPACN-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
SMILESCCC(C)NC(=O)c1ccccc1N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-3-17(2)24-22(28)20-11-7-8-12-21(20)27-15-13-19(14-16-27)26-23(29)25-18-9-5-4-6-10-18/h4-12,17,19H,3,13-16H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyLUNRWLLDMOUHTG-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.01
Rot. Bonds6

About N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide

N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide (PubChem CID 42848447) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
PubChem CID42848447
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
SMILESCCC(C)NC(=O)c1ccccc1N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-3-17(2)24-22(28)20-11-7-8-12-21(20)27-15-13-19(14-16-27)26-23(29)25-18-9-5-4-6-10-18/h4-12,17,19H,3,13-16H2,1-2H3,(H,24,28)(H2,25,26,29)
InChIKeyLUNRWLLDMOUHTG-UHFFFAOYSA-N
XLogP4.01
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848022
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide
CID 42848513
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93324345
N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038598
N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848467
N-ethyl-N-methyl-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038653
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 46038584
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide (CID 42848447) is N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide is CCC(C)NC(=O)c1ccccc1N1CCC(NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide?
The InChIKey is LUNRWLLDMOUHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-3-17(2)24-22(28)20-11-7-8-12-21(20)27-15-13-19(14-16-27)26-23(29)25-18-9-5-4-6-10-18/h4-12,17,19H,3,13-16H2,1-2H3,(H,24,28)(H2,25,26,29).
What are the key properties of N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide?
N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide has a molecular weight of 394.52 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 42848447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).