N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide

C26H27N3O4 — CID 93199355

IUPACN-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(N[C@@H](C(=O)NCc1ccco1)C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H27N3O4/c30-24(20-8-3-1-4-9-20)28-23(25(31)27-18-22-12-7-17-33-22)19-13-15-29(16-14-19)26(32)21-10-5-2-6-11-21/h1-12,17,19,23H,13-16,18H2,(H,27,31)(H,28,30)/t23-/m1/s1
InChIKeyYWHZAPOCVMCBQF-HSZRJFAPSA-N
MW445.52 g/mol
LogP3.25
Rot. Bonds7

About N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide

N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide (PubChem CID 93199355) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
PubChem CID93199355
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(N[C@@H](C(=O)NCc1ccco1)C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H27N3O4/c30-24(20-8-3-1-4-9-20)28-23(25(31)27-18-22-12-7-17-33-22)19-13-15-29(16-14-19)26(32)21-10-5-2-6-11-21/h1-12,17,19,23H,13-16,18H2,(H,27,31)(H,28,30)/t23-/m1/s1
InChIKeyYWHZAPOCVMCBQF-HSZRJFAPSA-N
XLogP3.25
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 46020304
N-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
CID 93198867
N-ethyl-4-[(1S)-1-[(4-fluorobenzoyl)amino]-2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-1-carboxamide
CID 93178844
N-[(1S)-2-(benzylamino)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199377
N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
CID 46020083
N-[(1S)-1-(1-benzoylpiperidin-4-yl)-2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]benzamide
CID 93199443
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539
N-[(1S)-2-(benzylamino)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-oxoethyl]benzamide
CID 93199391
N-[1-(1-benzoylpiperidin-4-yl)-2-(3-methylbutan-2-ylamino)-2-oxoethyl]benzamide
CID 42840462
N-[1-(1-benzoylpiperidin-4-yl)-2-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020448
N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016012
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide (CID 93199355) is N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide is O=C(N[C@@H](C(=O)NCc1ccco1)C1CCN(C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The InChIKey is YWHZAPOCVMCBQF-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H27N3O4/c30-24(20-8-3-1-4-9-20)28-23(25(31)27-18-22-12-7-17-33-22)19-13-15-29(16-14-19)26(32)21-10-5-2-6-11-21/h1-12,17,19,23H,13-16,18H2,(H,27,31)(H,28,30)/t23-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 93199355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).