N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide

C28H41N5O4 — CID 42856016

IUPACN,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2coc(CN3CCN(CC(O)Cc4ccccc4)CC3)n2)C1
InChIInChI=1S/C28H41N5O4/c1-3-32(4-2)27(35)23-11-8-12-33(18-23)28(36)25-21-37-26(29-25)20-31-15-13-30(14-16-31)19-24(34)17-22-9-6-5-7-10-22/h5-7,9-10,21,23-24,34H,3-4,8,11-20H2,1-2H3
InChIKeyFNSBLWFJZDWPLR-UHFFFAOYSA-N
MW511.67 g/mol
LogP2.12
Rot. Bonds10

About N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide

N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 42856016) has the molecular formula C28H41N5O4 and a molecular weight of 511.67 g/mol. Its IUPAC name is N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID42856016
Molecular FormulaC28H41N5O4
Molecular Weight511.67 g/mol
Exact Mass511.32
IUPAC NameN,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)c2coc(CN3CCN(CC(O)Cc4ccccc4)CC3)n2)C1
InChIInChI=1S/C28H41N5O4/c1-3-32(4-2)27(35)23-11-8-12-33(18-23)28(36)25-21-37-26(29-25)20-31-15-13-30(14-16-31)19-24(34)17-22-9-6-5-7-10-22/h5-7,9-10,21,23-24,34H,3-4,8,11-20H2,1-2H3
InChIKeyFNSBLWFJZDWPLR-UHFFFAOYSA-N
XLogP2.12
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.67
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 92986615
[4-(2-ethylphenyl)piperazin-1-yl]-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051481
2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-N-(2-methylbutyl)-1,3-oxazole-4-carboxamide
CID 42855841
(4-benzylpiperazin-1-yl)-[2-[[4-[(2S)-2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986576
[2-[[4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 42855959
1-[(3S)-1-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidin-3-yl]ethanone
CID 28954968
1-[(3R)-1-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidin-3-yl]ethanone
CID 28954966
(4-benzylpiperidin-1-yl)-[2-[[4-(2-hydroxyhex-5-enyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42855971
[2-[[4-[(2R)-2-hydroxyhexyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92986674
(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856031
N-[(4-fluorophenyl)methyl]-2-[[4-[(2S)-2-hydroxy-3-phenylpropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986347
[4-(2-ethylphenyl)piperazin-1-yl]-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986721

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide (CID 42856016) is N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)c2coc(CN3CCN(CC(O)Cc4ccccc4)CC3)n2)C1.
What is the InChIKey of N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is FNSBLWFJZDWPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41N5O4/c1-3-32(4-2)27(35)23-11-8-12-33(18-23)28(36)25-21-37-26(29-25)20-31-15-13-30(14-16-31)19-24(34)17-22-9-6-5-7-10-22/h5-7,9-10,21,23-24,34H,3-4,8,11-20H2,1-2H3.
What are the key properties of N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide?
N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 511.67 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-[[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 42856016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).