1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

C18H33N3O3 — CID 95778134

IUPAC1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCC[C@H](C)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-3-15(2)18(23)21-9-5-16(6-10-21)17(22)19-7-4-8-20-11-13-24-14-12-20/h15-16H,3-14H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyTYGJMAWPRHFPNF-HNNXBMFYSA-N
MW339.48 g/mol
LogP1.11
Rot. Bonds7

About 1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide

1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (PubChem CID 95778134) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
PubChem CID95778134
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
SMILESCC[C@H](C)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C18H33N3O3/c1-3-15(2)18(23)21-9-5-16(6-10-21)17(22)19-7-4-8-20-11-13-24-14-12-20/h15-16H,3-14H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyTYGJMAWPRHFPNF-HNNXBMFYSA-N
XLogP1.11
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 60846570
4-N-(2-morpholin-4-ylethyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428885
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 30532268
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
(3R)-1-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92696521
1-(3-amino-2-methylpropanoyl)-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 62668727
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
1-butylsulfonyl-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
CID 113003547
N-(3-morpholin-4-ylpropyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 51155935
ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate
CID 108504184

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide (CID 95778134) is 1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is CC[C@H](C)C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1.
What is the InChIKey of 1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
The InChIKey is TYGJMAWPRHFPNF-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-3-15(2)18(23)21-9-5-16(6-10-21)17(22)19-7-4-8-20-11-13-24-14-12-20/h15-16H,3-14H2,1-2H3,(H,19,22)/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide?
1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 95778134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).