N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide

C22H32ClN3O3 — CID 93197287

IUPACN-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
SMILESCC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C22H32ClN3O3/c1-5-15(4)24-21(28)19(25-20(27)17-8-6-7-9-18(17)23)16-10-12-26(13-11-16)22(29)14(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3,(H,24,28)(H,25,27)/t15-,19+/m0/s1
InChIKeyJWKZCFGRBUCUDQ-HNAYVOBHSA-N
MW421.97 g/mol
LogP3.25
Rot. Bonds7

About N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide

N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide (PubChem CID 93197287) has the molecular formula C22H32ClN3O3 and a molecular weight of 421.97 g/mol. Its IUPAC name is N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
PubChem CID93197287
Molecular FormulaC22H32ClN3O3
Molecular Weight421.97 g/mol
Exact Mass421.21
IUPAC NameN-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
SMILESCC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C22H32ClN3O3/c1-5-15(4)24-21(28)19(25-20(27)17-8-6-7-9-18(17)23)16-10-12-26(13-11-16)22(29)14(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3,(H,24,28)(H,25,27)/t15-,19+/m0/s1
InChIKeyJWKZCFGRBUCUDQ-HNAYVOBHSA-N
XLogP3.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide with MolForge

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Related Compounds

N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
CID 93196404
4-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[(2-chlorobenzoyl)amino]-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93200225
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
CID 93197340
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
CID 93197313
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-2-methylbenzamide
CID 42840332
4-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[(2-methylbenzoyl)amino]-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93200287
N-[2-(butan-2-ylamino)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 46019617
4-[(1S)-1-[(2-chlorobenzoyl)amino]-2-oxo-2-piperidin-1-ylethyl]-N-ethylpiperidine-1-carboxamide
CID 93200202
4-[1-[(2-chlorobenzoyl)amino]-2-(2-methylpropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 46020650
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197838
N-[2-(butan-2-ylamino)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46151850

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide?
The IUPAC name of N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide (CID 93197287) is N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide?
The canonical SMILES for N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide is CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide?
The InChIKey is JWKZCFGRBUCUDQ-HNAYVOBHSA-N. The full InChI is InChI=1S/C22H32ClN3O3/c1-5-15(4)24-21(28)19(25-20(27)17-8-6-7-9-18(17)23)16-10-12-26(13-11-16)22(29)14(2)3/h6-9,14-16,19H,5,10-13H2,1-4H3,(H,24,28)(H,25,27)/t15-,19+/m0/s1.
What are the key properties of N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide?
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide has a molecular weight of 421.97 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide is sourced from PubChem (CID 93197287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).