N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide

C15H23N3O3 — CID 46942971

IUPACN-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCCCN1C(=O)c1ccno1
InChIInChI=1S/C15H23N3O3/c1-3-4-9-16-14(20)15(2)8-5-6-11-18(15)13(19)12-7-10-17-21-12/h7,10H,3-6,8-9,11H2,1-2H3,(H,16,20)
InChIKeyFCOPDMAOBPOGKP-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.98
Rot. Bonds5

About N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide

N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide (PubChem CID 46942971) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide
PubChem CID46942971
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide
SMILESCCCCNC(=O)C1(C)CCCCN1C(=O)c1ccno1
InChIInChI=1S/C15H23N3O3/c1-3-4-9-16-14(20)15(2)8-5-6-11-18(15)13(19)12-7-10-17-21-12/h7,10H,3-6,8-9,11H2,1-2H3,(H,16,20)
InChIKeyFCOPDMAOBPOGKP-UHFFFAOYSA-N
XLogP1.98
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.98
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

CID 137654325
CID 137654325
5-Isoxazoyl-Cha-Ile-(piperidin-4-yl)-(4-[aminomethyl]piperidin-1-yl)methanone
CID 49788439
N-[1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 137633152
N-[1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 137637330
N-[1-[[(2S,3S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 137638214
N-[1-[[(2S,3S)-1-[[2-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 137654661
N-[1-[[2-[(2-amino-2-oxoethyl)amino]-1-cyclohexyl-2-oxoethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 137661916
N-[(2S)-1-[[2-(2-amino-2-oxoethyl)cyclohexyl]methylamino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 156014169
3,7-Diazabicyclo[3.3.1]nonan-3-yl(1,2-oxazol-5-yl)methanone
CID 24945458
5-Isoxazoyl-Cha-Ile-(piperidin-2-yl)-(4-[aminomethyl]piperidin-1-yl)methanone
CID 49788441
N-[(2S)-1-[[(2S,3S)-1-[(2S)-2-(tert-butylcarbamoyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
CID 56640398
(3S,4aS,8aS)-N-tert-butyl-2-(1,2-oxazole-5-carbonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
CID 2747211

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide (CID 46942971) is N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide is CCCCNC(=O)C1(C)CCCCN1C(=O)c1ccno1.
What is the InChIKey of N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide?
The InChIKey is FCOPDMAOBPOGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-4-9-16-14(20)15(2)8-5-6-11-18(15)13(19)12-7-10-17-21-12/h7,10H,3-6,8-9,11H2,1-2H3,(H,16,20).
What are the key properties of N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide?
N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-1-(1,2-oxazole-5-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 46942971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).