N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide

C22H27N3O3 — CID 33102925

IUPACN-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(CNC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-9-7-17(8-10-20)15-23-21(26)16-25-13-11-19(12-14-25)24-22(27)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyKMVRHDPGPBHOPK-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.21
Rot. Bonds7

About N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide

N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 33102925) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID33102925
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(CNC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-9-7-17(8-10-20)15-23-21(26)16-25-13-11-19(12-14-25)24-22(27)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyKMVRHDPGPBHOPK-UHFFFAOYSA-N
XLogP2.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 3221014
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
CID 141035311
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
2-[4-[(4-methoxyphenyl)methylcarbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 34700282
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1445053
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
4-benzamido-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 127163757
N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33104690
N-[2-[4-[[2-(4-methoxyphenyl)acetyl]amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 108549855
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide (CID 33102925) is N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide is COc1ccc(CNC(=O)CN2CCC(NC(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is KMVRHDPGPBHOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-20-9-7-17(8-10-20)15-23-21(26)16-25-13-11-19(12-14-25)24-22(27)18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide?
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33102925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).