N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide

C18H28N4O4S — CID 49407718

IUPACN-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)CSCC(=O)Nc2cc(C)on2)C1
InChIInChI=1S/C18H28N4O4S/c1-3-4-7-19-18(25)14-6-5-8-22(10-14)17(24)12-27-11-16(23)20-15-9-13(2)26-21-15/h9,14H,3-8,10-12H2,1-2H3,(H,19,25)(H,20,21,23)
InChIKeySFQKPSHDMBYJML-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.81
Rot. Bonds9

About N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide

N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide (PubChem CID 49407718) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide
PubChem CID49407718
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC NameN-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide
SMILESCCCCNC(=O)C1CCCN(C(=O)CSCC(=O)Nc2cc(C)on2)C1
InChIInChI=1S/C18H28N4O4S/c1-3-4-7-19-18(25)14-6-5-8-22(10-14)17(24)12-27-11-16(23)20-15-9-13(2)26-21-15/h9,14H,3-8,10-12H2,1-2H3,(H,19,25)(H,20,21,23)
InChIKeySFQKPSHDMBYJML-UHFFFAOYSA-N
XLogP1.81
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide with MolForge

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Related Compounds

2-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 119381694
(3R)-N-butyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94010550
N-(2-aminoethyl)-1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidine-3-carboxamide
CID 119916883
methyl 3-(butylcarbamoyl)piperidine-1-carboxylate
CID 110754259
ethyl 1-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]piperidine-3-carboxylate
CID 47014440
N-butyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344181
(2S)-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 31468642
N-(3-methylbutyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 31334149
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 42999196
1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
CID 49407564
N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 49407863
(3R)-3-N-butyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 92900294

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide?
The IUPAC name of N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide (CID 49407718) is N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide is CCCCNC(=O)C1CCCN(C(=O)CSCC(=O)Nc2cc(C)on2)C1.
What is the InChIKey of N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide?
The InChIKey is SFQKPSHDMBYJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-3-4-7-19-18(25)14-6-5-8-22(10-14)17(24)12-27-11-16(23)20-15-9-13(2)26-21-15/h9,14H,3-8,10-12H2,1-2H3,(H,19,25)(H,20,21,23).
What are the key properties of N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide?
N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]piperidine-3-carboxamide is sourced from PubChem (CID 49407718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).