N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide

C23H33N3O4 — CID 93198236

IUPACN-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
SMILESCC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H33N3O4/c1-4-15(2)24-22(28)20(25-21(27)18-6-5-7-19(14-18)30-3)16-10-12-26(13-11-16)23(29)17-8-9-17/h5-7,14-17,20H,4,8-13H2,1-3H3,(H,24,28)(H,25,27)/t15-,20-/m1/s1
InChIKeyJSBKFCAPKJEETM-FOIQADDNSA-N
MW415.53 g/mol
LogP2.36
Rot. Bonds8

About N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide

N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 93198236) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
PubChem CID93198236
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC NameN-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide
SMILESCC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C23H33N3O4/c1-4-15(2)24-22(28)20(25-21(27)18-6-5-7-19(14-18)30-3)16-10-12-26(13-11-16)23(29)17-8-9-17/h5-7,14-17,20H,4,8-13H2,1-3H3,(H,24,28)(H,25,27)/t15-,20-/m1/s1
InChIKeyJSBKFCAPKJEETM-FOIQADDNSA-N
XLogP2.36
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.36
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]-3-methoxybenzamide
CID 93198261
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199477
N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(diethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 46019728
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197863
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]-2-methylbenzamide
CID 93197865
N-[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019501
3-methoxy-N-[2-oxo-1-(1-propanoylpiperidin-4-yl)-2-(propylamino)ethyl]benzamide
CID 42840353
3-methoxy-N-[(1R)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]benzamide
CID 93198280
3-methoxy-N-[(1S)-1-[1-(2-methylpropanoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]benzamide
CID 93198040
4-[(1R)-1-[(3-methoxybenzoyl)amino]-2-oxo-2-pyrrolidin-1-ylethyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 93200337
N-[2-(butan-2-ylamino)-1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 46020492
N-[(1R)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methoxybenzamide
CID 93197434

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide (CID 93198236) is N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide is CC[C@@H](C)NC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is JSBKFCAPKJEETM-FOIQADDNSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-4-15(2)24-22(28)20(25-21(27)18-6-5-7-19(14-18)30-3)16-10-12-26(13-11-16)23(29)17-8-9-17/h5-7,14-17,20H,4,8-13H2,1-3H3,(H,24,28)(H,25,27)/t15-,20-/m1/s1.
What are the key properties of N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide?
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 415.53 g/mol, XLogP of 2.36, 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-(cyclopropanecarbonyl)piperidin-4-yl]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 93198236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).