N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide

C25H30FN3O3 — CID 93199454

IUPACN-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H30FN3O3/c1-3-17(2)27-24(31)22(28-23(30)19-8-5-4-6-9-19)18-12-14-29(15-13-18)25(32)20-10-7-11-21(26)16-20/h4-11,16-18,22H,3,12-15H2,1-2H3,(H,27,31)(H,28,30)/t17-,22+/m1/s1
InChIKeyRNUPRZPINLBCBZ-VGSWGCGISA-N
MW439.53 g/mol
LogP3.39
Rot. Bonds7

About N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide

N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide (PubChem CID 93199454) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
PubChem CID93199454
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC NameN-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
SMILESCC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C25H30FN3O3/c1-3-17(2)27-24(31)22(28-23(30)19-8-5-4-6-9-19)18-12-14-29(15-13-18)25(32)20-10-7-11-21(26)16-20/h4-11,16-18,22H,3,12-15H2,1-2H3,(H,27,31)(H,28,30)/t17-,22+/m1/s1
InChIKeyRNUPRZPINLBCBZ-VGSWGCGISA-N
XLogP3.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide with MolForge

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Related Compounds

N-[2-(butan-2-ylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 46019147
N-[(1R)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196657
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196660
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-2-fluorobenzamide
CID 93196442
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-4-fluorobenzamide
CID 93196675
N-[(1R)-2-[[(2S)-butan-2-yl]amino]-1-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199477
N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199391
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-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbenzamide
CID 93198889
N-[1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 46020368
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]-4-methylbenzamide
CID 93199679

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide (CID 93199454) is N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide is CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
The InChIKey is RNUPRZPINLBCBZ-VGSWGCGISA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-3-17(2)27-24(31)22(28-23(30)19-8-5-4-6-9-19)18-12-14-29(15-13-18)25(32)20-10-7-11-21(26)16-20/h4-11,16-18,22H,3,12-15H2,1-2H3,(H,27,31)(H,28,30)/t17-,22+/m1/s1.
What are the key properties of N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide?
N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide has a molecular weight of 439.53 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-[[(2R)-butan-2-yl]amino]-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 93199454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).