N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide

C23H35ClN4O3 — CID 46020649

IUPACN-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide
SMILESCC(C)CNC(=O)C(NC(=O)c1ccccc1Cl)C1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C23H35ClN4O3/c1-15(2)14-25-21(30)19(26-20(29)17-8-6-7-9-18(17)24)16-10-12-28(13-11-16)22(31)27-23(3,4)5/h6-9,15-16,19H,10-14H2,1-5H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyZQUAEJOOYYFLGK-UHFFFAOYSA-N
MW451.01 g/mol
LogP3.43
Rot. Bonds6

About N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide

N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide (PubChem CID 46020649) has the molecular formula C23H35ClN4O3 and a molecular weight of 451.01 g/mol. Its IUPAC name is N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide
PubChem CID46020649
Molecular FormulaC23H35ClN4O3
Molecular Weight451.01 g/mol
Exact Mass450.24
IUPAC NameN-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide
SMILESCC(C)CNC(=O)C(NC(=O)c1ccccc1Cl)C1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C23H35ClN4O3/c1-15(2)14-25-21(30)19(26-20(29)17-8-6-7-9-18(17)24)16-10-12-28(13-11-16)22(31)27-23(3,4)5/h6-9,15-16,19H,10-14H2,1-5H3,(H,25,30)(H,26,29)(H,27,31)
InChIKeyZQUAEJOOYYFLGK-UHFFFAOYSA-N
XLogP3.43
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.01
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 46020650
2-chloro-N-[(1R)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93197220
2-chloro-N-[1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019378
2-chloro-N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93197204
4-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[(2-chlorobenzoyl)amino]-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93200225
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199280
4-[(1S)-1-benzamido-2-(benzylamino)-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200042
2-methyl-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 46019107
4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide
CID 93200202
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
CID 93197287
4-[(1R)-1-benzamido-2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]-N-tert-butylpiperidine-1-carboxamide
CID 93200065
2-methyl-N-[(1S)-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93196567

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide (CID 46020649) is N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide is CC(C)CNC(=O)C(NC(=O)c1ccccc1Cl)C1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide?
The InChIKey is ZQUAEJOOYYFLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN4O3/c1-15(2)14-25-21(30)19(26-20(29)17-8-6-7-9-18(17)24)16-10-12-28(13-11-16)22(31)27-23(3,4)5/h6-9,15-16,19H,10-14H2,1-5H3,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide?
N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide has a molecular weight of 451.01 g/mol, XLogP of 3.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46020649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).