N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide

C21H31N3O4 — CID 93199468

IUPACN-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)COC)CC1
InChIInChI=1S/C21H31N3O4/c1-4-15(2)22-21(27)19(23-20(26)17-8-6-5-7-9-17)16-10-12-24(13-11-16)18(25)14-28-3/h5-9,15-16,19H,4,10-14H2,1-3H3,(H,22,27)(H,23,26)/t15-,19-/m1/s1
InChIKeyHENXYSSYUHXFKB-DNVCBOLYSA-N
MW389.50 g/mol
LogP1.58
Rot. Bonds8

About N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide

N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide (PubChem CID 93199468) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide
PubChem CID93199468
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)COC)CC1
InChIInChI=1S/C21H31N3O4/c1-4-15(2)22-21(27)19(23-20(26)17-8-6-5-7-9-17)16-10-12-24(13-11-16)18(25)14-28-3/h5-9,15-16,19H,4,10-14H2,1-3H3,(H,22,27)(H,23,26)/t15-,19-/m1/s1
InChIKeyHENXYSSYUHXFKB-DNVCBOLYSA-N
XLogP1.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199469
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-4-methoxybenzamide
CID 93197583
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
CID 93198261
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-2-chlorobenzamide
CID 93197340
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 97496251
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199477
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 93199800
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93200487
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(3-phenylpropanoyl)piperidin-4-yl]ethyl]-4-methoxybenzamide
CID 24719582
N-[2-(butan-2-ylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]-4-methylbenzamide
CID 42840475
N-[(1R)-2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxo-1-(1-propanoylpiperidin-4-yl)ethyl]benzamide
CID 93199555

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide (CID 93199468) is N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide is CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C1CCN(C(=O)COC)CC1.
What is the InChIKey of N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is HENXYSSYUHXFKB-DNVCBOLYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-4-15(2)22-21(27)19(23-20(26)17-8-6-5-7-9-17)16-10-12-24(13-11-16)18(25)14-28-3/h5-9,15-16,19H,4,10-14H2,1-3H3,(H,22,27)(H,23,26)/t15-,19-/m1/s1.
What are the key properties of N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide?
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(2-methoxyacetyl)piperidin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 93199468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).