4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide

C18H31N5O2 — CID 127854910

IUPAC4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1ocnc1CNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1
InChIInChI=1S/C18H31N5O2/c1-15-16(20-14-25-15)12-19-17(24)23-6-4-18(2,5-7-23)13-22-10-8-21(3)9-11-22/h14H,4-13H2,1-3H3,(H,19,24)
InChIKeyJXUONQNQTVNMAT-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.54
Rot. Bonds4

About 4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide

4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (PubChem CID 127854910) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
PubChem CID127854910
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide
SMILESCc1ocnc1CNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1
InChIInChI=1S/C18H31N5O2/c1-15-16(20-14-25-15)12-19-17(24)23-6-4-18(2,5-7-23)13-22-10-8-21(3)9-11-22/h14H,4-13H2,1-3H3,(H,19,24)
InChIKeyJXUONQNQTVNMAT-UHFFFAOYSA-N
XLogP1.54
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

4-methyl-4-[(4-methylpiperazin-1-yl)methyl]-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
CID 122141719
2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 130794359
4-(hydroxymethyl)-4-methyl-N-[(2,4,6-trimethylphenyl)methyl]piperidine-1-carboxamide
CID 86792095
N-[(3-methyl-2-pyridinyl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868323
3-[[5-[(1,4-dimethylpiperidin-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-1,1-dimethylurea
CID 70783814
1-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 115991358
3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147322
N-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4,7-dimethyl-1,4,7-triazonane-1-carboxamide
CID 138018751
furan-2-yl-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 171997967
7-(2,2-dimethylpropyl)-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45229489
1-[4-[2-(diethylamino)ethyl]phenyl]-3-[(5-methyl-1,3-oxazol-4-yl)methyl]urea
CID 119048998
N-[[(3R)-1,3-dimethylpyrrolidin-3-yl]methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 126450581

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide (CID 127854910) is 4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is Cc1ocnc1CNC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1.
What is the InChIKey of 4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
The InChIKey is JXUONQNQTVNMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-15-16(20-14-25-15)12-19-17(24)23-6-4-18(2,5-7-23)13-22-10-8-21(3)9-11-22/h14H,4-13H2,1-3H3,(H,19,24).
What are the key properties of 4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide?
4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]-4-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 127854910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).