N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide

C26H26ClN3O4 — CID 46020304

IUPACN-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(NC(C(=O)NCc1ccco1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C26H26ClN3O4/c27-21-10-8-20(9-11-21)26(33)30-14-12-18(13-15-30)23(25(32)28-17-22-7-4-16-34-22)29-24(31)19-5-2-1-3-6-19/h1-11,16,18,23H,12-15,17H2,(H,28,32)(H,29,31)
InChIKeyGKDQHKYNWWQQCO-UHFFFAOYSA-N
MW479.96 g/mol
LogP3.90
Rot. Bonds7

About N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide

N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide (PubChem CID 46020304) has the molecular formula C26H26ClN3O4 and a molecular weight of 479.96 g/mol. Its IUPAC name is N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
PubChem CID46020304
Molecular FormulaC26H26ClN3O4
Molecular Weight479.96 g/mol
Exact Mass479.16
IUPAC NameN-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
SMILESO=C(NC(C(=O)NCc1ccco1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C26H26ClN3O4/c27-21-10-8-20(9-11-21)26(33)30-14-12-18(13-15-30)23(25(32)28-17-22-7-4-16-34-22)29-24(31)19-5-2-1-3-6-19/h1-11,16,18,23H,12-15,17H2,(H,28,32)(H,29,31)
InChIKeyGKDQHKYNWWQQCO-UHFFFAOYSA-N
XLogP3.90
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.96
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1-benzoylpiperidin-4-yl)-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 93199355
N-[1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-4-fluorobenzamide
CID 46014684
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-[(1R)-1-[1-(3-fluorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
CID 93198867
N-[1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methylbenzamide
CID 46020083
N-[1-(1-benzoylpiperidin-4-yl)-2-oxo-2-(propylamino)ethyl]-4-methylbenzamide
CID 46020539
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-(2-methoxyethylamino)-2-oxoethyl]-4-methylbenzamide
CID 46020448
N-[(1S)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 93199265
N-[2-oxo-2-(propylamino)-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
CID 46016012
N-[(1S)-1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
CID 93198858

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide (CID 46020304) is N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide is O=C(NC(C(=O)NCc1ccco1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
The InChIKey is GKDQHKYNWWQQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O4/c27-21-10-8-20(9-11-21)26(33)30-14-12-18(13-15-30)23(25(32)28-17-22-7-4-16-34-22)29-24(31)19-5-2-1-3-6-19/h1-11,16,18,23H,12-15,17H2,(H,28,32)(H,29,31).
What are the key properties of N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide?
N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide has a molecular weight of 479.96 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-chlorobenzoyl)piperidin-4-yl]-2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 46020304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).