4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide

C26H34N4O3 — CID 93200042

IUPAC4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C26H34N4O3/c1-26(2,3)29-25(33)30-16-14-20(15-17-30)22(28-23(31)21-12-8-5-9-13-21)24(32)27-18-19-10-6-4-7-11-19/h4-13,20,22H,14-18H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)/t22-/m0/s1
InChIKeyMRROXTJIQUDLLN-QFIPXVFZSA-N
MW450.58 g/mol
LogP3.32
Rot. Bonds6

About 4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide

4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide (PubChem CID 93200042) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
PubChem CID93200042
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C26H34N4O3/c1-26(2,3)29-25(33)30-16-14-20(15-17-30)22(28-23(31)21-12-8-5-9-13-21)24(32)27-18-19-10-6-4-7-11-19/h4-13,20,22H,14-18H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)/t22-/m0/s1
InChIKeyMRROXTJIQUDLLN-QFIPXVFZSA-N
XLogP3.32
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200047
4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200065
N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199377
N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199391
4-[(1S)-1-benzamido-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200024
N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 46020649
N-[(1R)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 93199519
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199280
N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-(prop-2-enylamino)ethyl]benzamide
CID 42840460
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93183233
4-[1-(1,3-benzodioxole-5-carbonylamino)-2-oxo-2-(propylamino)ethyl]-N-tert-butylpiperidine-1-carboxamide
CID 46020713
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-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
The IUPAC name of 4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide (CID 93200042) is 4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
The InChIKey is MRROXTJIQUDLLN-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-26(2,3)29-25(33)30-16-14-20(15-17-30)22(28-23(31)21-12-8-5-9-13-21)24(32)27-18-19-10-6-4-7-11-19/h4-13,20,22H,14-18H2,1-3H3,(H,27,32)(H,28,31)(H,29,33)/t22-/m0/s1.
What are the key properties of 4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide?
4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide is sourced from PubChem (CID 93200042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).