N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide

C22H32N4O3 — CID 86890910

IUPACN-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCN(C(C)C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C22H32N4O3/c1-17(21(28)25-10-4-3-5-11-25)24-12-14-26(15-13-24)22(29)20-8-6-19(7-9-20)16-23-18(2)27/h6-9,17H,3-5,10-16H2,1-2H3,(H,23,27)
InChIKeyRDQRQWMXFSELEN-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.48
Rot. Bonds5

About N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide

N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide (PubChem CID 86890910) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
PubChem CID86890910
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(C(=O)N2CCN(C(C)C(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C22H32N4O3/c1-17(21(28)25-10-4-3-5-11-25)24-12-14-26(15-13-24)22(29)20-8-6-19(7-9-20)16-23-18(2)27/h6-9,17H,3-5,10-16H2,1-2H3,(H,23,27)
InChIKeyRDQRQWMXFSELEN-UHFFFAOYSA-N
XLogP1.48
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[4-[(2S)-2-hydroxybutyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 95342576
4-tert-butyl-N-[2-oxo-2-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]ethyl]benzamide
CID 86891176
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
N-[[4-(4-hydroxypiperidine-1-carbonyl)phenyl]methyl]acetamide
CID 43393426
N-[[4-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]methyl]acetamide
CID 78850069
N-[[4-[4-[(1R,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]phenyl]methyl]acetamide
CID 95759214
N-[[4-[(3R)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]methyl]acetamide
CID 124691388
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
2-(4-methylphenoxy)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 18119539
N-[[4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 79404212
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide (CID 86890910) is N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(C(=O)N2CCN(C(C)C(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide?
The InChIKey is RDQRQWMXFSELEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-17(21(28)25-10-4-3-5-11-25)24-12-14-26(15-13-24)22(29)20-8-6-19(7-9-20)16-23-18(2)27/h6-9,17H,3-5,10-16H2,1-2H3,(H,23,27).
What are the key properties of N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide?
N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]phenyl]methyl]acetamide is sourced from PubChem (CID 86890910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).