2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide

C25H34N4O2 — CID 93324345

IUPAC2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)NC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C25H34N4O2/c1-18(19-10-6-5-7-11-19)26-23(30)21-12-8-9-13-22(21)29-16-14-20(15-17-29)27-24(31)28-25(2,3)4/h5-13,18,20H,14-17H2,1-4H3,(H,26,30)(H2,27,28,31)/t18-/m1/s1
InChIKeySPSUWQNOMYDMSB-GOSISDBHSA-N
MW422.57 g/mol
LogP4.24
Rot. Bonds5

About 2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide

2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 93324345) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID93324345
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)NC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C25H34N4O2/c1-18(19-10-6-5-7-11-19)26-23(30)21-12-8-9-13-22(21)29-16-14-20(15-17-29)27-24(31)28-25(2,3)4/h5-13,18,20H,14-17H2,1-4H3,(H,26,30)(H2,27,28,31)/t18-/m1/s1
InChIKeySPSUWQNOMYDMSB-GOSISDBHSA-N
XLogP4.24
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
3,5-difluoro-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93324204
2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]-N-(1-phenylethyl)benzamide
CID 46037468
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(1S)-1-phenylethyl]benzamide
CID 93324162
3,4-dimethoxy-N-[1-[2-[[(1S)-1-phenylethyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93290995
N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848447
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
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123

Frequently Asked Questions

What is the IUPAC name of 2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide (CID 93324345) is 2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1ccccc1N1CCC(NC(=O)NC(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is SPSUWQNOMYDMSB-GOSISDBHSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-18(19-10-6-5-7-11-19)26-23(30)21-12-8-9-13-22(21)29-16-14-20(15-17-29)27-24(31)28-25(2,3)4/h5-13,18,20H,14-17H2,1-4H3,(H,26,30)(H2,27,28,31)/t18-/m1/s1.
What are the key properties of 2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide?
2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 422.57 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tert-butylcarbamoylamino)piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 93324345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).