4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide

C24H38N4O3 — CID 93200065

IUPAC4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
SMILESCC(C)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C24H38N4O3/c1-16(2)17(3)25-22(30)20(26-21(29)19-10-8-7-9-11-19)18-12-14-28(15-13-18)23(31)27-24(4,5)6/h7-11,16-18,20H,12-15H2,1-6H3,(H,25,30)(H,26,29)(H,27,31)/t17-,20+/m0/s1
InChIKeyCBOQOKAWJOWPOE-FXAWDEMLSA-N
MW430.59 g/mol
LogP3.17
Rot. Bonds6

About 4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide

4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide (PubChem CID 93200065) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
PubChem CID93200065
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
SMILESCC(C)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C24H38N4O3/c1-16(2)17(3)25-22(30)20(26-21(29)19-10-8-7-9-11-19)18-12-14-28(15-13-18)23(31)27-24(4,5)6/h7-11,16-18,20H,12-15H2,1-6H3,(H,25,30)(H,26,29)(H,27,31)/t17-,20+/m0/s1
InChIKeyCBOQOKAWJOWPOE-FXAWDEMLSA-N
XLogP3.17
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide with MolForge

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Related Compounds

4-[(1S)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200079
N-[1-(1-benzoylpiperidin-4-yl)-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 42840462
N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
CID 93199555
4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200042
4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200024
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 93197087
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443
N-[1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(3-methylbutan-2-ylamino)-2-oxoethyl]-3-methylbenzamide
CID 46020155
N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 46020649
4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200047
N-[1-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 42840448
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93183237

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
The IUPAC name of 4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide (CID 93200065) is 4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide is CC(C)[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of 4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
The InChIKey is CBOQOKAWJOWPOE-FXAWDEMLSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-16(2)17(3)25-22(30)20(26-21(29)19-10-8-7-9-11-19)18-12-14-28(15-13-18)23(31)27-24(4,5)6/h7-11,16-18,20H,12-15H2,1-6H3,(H,25,30)(H,26,29)(H,27,31)/t17-,20+/m0/s1.
What are the key properties of 4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide has a molecular weight of 430.59 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide is sourced from PubChem (CID 93200065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).