1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide

C24H36N4O4 — CID 171676223

IUPAC1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide
SMILESCC(O)CNC(=O)C1CCN(C2CCN(C(=O)CN(C)C(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H36N4O4/c1-18(29)16-25-23(31)19-8-12-27(13-9-19)21-10-14-28(15-11-21)22(30)17-26(2)24(32)20-6-4-3-5-7-20/h3-7,18-19,21,29H,8-17H2,1-2H3,(H,25,31)
InChIKeyCHCUJFYXXOTJIO-UHFFFAOYSA-N
MW444.58 g/mol
LogP0.96
Rot. Bonds7

About 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide

1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide (PubChem CID 171676223) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide
PubChem CID171676223
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Name1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide
SMILESCC(O)CNC(=O)C1CCN(C2CCN(C(=O)CN(C)C(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C24H36N4O4/c1-18(29)16-25-23(31)19-8-12-27(13-9-19)21-10-14-28(15-11-21)22(30)17-26(2)24(32)20-6-4-3-5-7-20/h3-7,18-19,21,29H,8-17H2,1-2H3,(H,25,31)
InChIKeyCHCUJFYXXOTJIO-UHFFFAOYSA-N
XLogP0.96
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(1,1,1-trifluorobutan-2-yl)piperidine-4-carboxamide
CID 171676221
N-[(2S)-2-hydroxypropyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42210941
1-[1-(3-hydroxybutyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 45209776
1-[1-[(3S)-3-hydroxybutyl]piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 25295127
N-methyl-N-[2-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 49492924
N-(2-methylpropyl)-1-[1-(4-pentylbenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881072
1-benzoyl-N-[2-(methylamino)propyl]piperidine-4-carboxamide
CID 120830387
1-acetyl-N-(2-hydroxypropyl)piperidine-4-carboxamide
CID 43392752
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-[2-[methyl-(4-methylsulfanylbenzoyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236330
N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693237
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide (CID 171676223) is 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide is CC(O)CNC(=O)C1CCN(C2CCN(C(=O)CN(C)C(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide?
The InChIKey is CHCUJFYXXOTJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-18(29)16-25-23(31)19-8-12-27(13-9-19)21-10-14-28(15-11-21)22(30)17-26(2)24(32)20-6-4-3-5-7-20/h3-7,18-19,21,29H,8-17H2,1-2H3,(H,25,31).
What are the key properties of 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide?
1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[benzoyl(methyl)amino]acetyl]piperidin-4-yl]-N-(2-hydroxypropyl)piperidine-4-carboxamide is sourced from PubChem (CID 171676223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).