(2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide

C18H30N4O2 — CID 95617489

IUPAC(2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide
SMILESCc1noc(C)c1CN1CCC([C@@H]2CCCCCN2C(N)=O)CC1
InChIInChI=1S/C18H30N4O2/c1-13-16(14(2)24-20-13)12-21-10-7-15(8-11-21)17-6-4-3-5-9-22(17)18(19)23/h15,17H,3-12H2,1-2H3,(H2,19,23)/t17-/m0/s1
InChIKeyAOBGPOXNZVXWJV-KRWDZBQOSA-N
MW334.46 g/mol
LogP2.83
Rot. Bonds3

About (2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide

(2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide (PubChem CID 95617489) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is (2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide
PubChem CID95617489
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name(2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide
SMILESCc1noc(C)c1CN1CCC([C@@H]2CCCCCN2C(N)=O)CC1
InChIInChI=1S/C18H30N4O2/c1-13-16(14(2)24-20-13)12-21-10-7-15(8-11-21)17-6-4-3-5-9-22(17)18(19)23/h15,17H,3-12H2,1-2H3,(H2,19,23)/t17-/m0/s1
InChIKeyAOBGPOXNZVXWJV-KRWDZBQOSA-N
XLogP2.83
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide with MolForge

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Related Compounds

cyclopropyl-[(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepan-1-yl]methanone
CID 95354750
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907958
(2R)-2-cyclohexyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 97314346
2-cyclopropylpiperidine-1-carboxamide
CID 140765289
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]ethanone
CID 110252871
1-[(3R)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 94124960
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carboxylic acid
CID 66621937
[(2R,3aS,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
CID 97388532
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 75527495
(2R)-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-2-methylbutanamide
CID 98042032
(2S,3aR,7aS)-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,N-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 124801429

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide?
The IUPAC name of (2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide (CID 95617489) is (2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide.
What is the SMILES notation for (2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide?
The canonical SMILES for (2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide is Cc1noc(C)c1CN1CCC([C@@H]2CCCCCN2C(N)=O)CC1.
What is the InChIKey of (2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide?
The InChIKey is AOBGPOXNZVXWJV-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-13-16(14(2)24-20-13)12-21-10-7-15(8-11-21)17-6-4-3-5-9-22(17)18(19)23/h15,17H,3-12H2,1-2H3,(H2,19,23)/t17-/m0/s1.
What are the key properties of (2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide?
(2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]azepane-1-carboxamide is sourced from PubChem (CID 95617489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).