cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide

C18H30N4O2 — CID 124697126

IUPACcis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)[C@H]3CCC[C@H]3N)CC2)oc1C
InChIInChI=1S/C18H30N4O2/c1-12-13(2)24-17(21-12)11-22-8-6-14(7-9-22)10-20-18(23)15-4-3-5-16(15)19/h14-16H,3-11,19H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyLWOKCJMMUBXIJZ-JKSUJKDBSA-N
MW334.46 g/mol
LogP1.75
Rot. Bonds5

About cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide

cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 124697126) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
PubChem CID124697126
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Namecis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)[C@H]3CCC[C@H]3N)CC2)oc1C
InChIInChI=1S/C18H30N4O2/c1-12-13(2)24-17(21-12)11-22-8-6-14(7-9-22)10-20-18(23)15-4-3-5-16(15)19/h14-16H,3-11,19H2,1-2H3,(H,20,23)/t15-,16+/m0/s1
InChIKeyLWOKCJMMUBXIJZ-JKSUJKDBSA-N
XLogP1.75
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(cyclobutylmethyl)-1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]guanidine
CID 111808376
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 56787262
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119884318
1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(2-methylpropyl)guanidine
CID 111808308
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(2-hydroxyethyl)azepane-1-carboxamide
CID 126800813
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 71879030
4-acetyl-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119159287
3-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119884300
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 64824736
1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 111117354
2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120670295
2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 62776858

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide (CID 124697126) is cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide is Cc1nc(CN2CCC(CNC(=O)[C@H]3CCC[C@H]3N)CC2)oc1C.
What is the InChIKey of cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is LWOKCJMMUBXIJZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12-13(2)24-17(21-12)11-22-8-6-14(7-9-22)10-20-18(23)15-4-3-5-16(15)19/h14-16H,3-11,19H2,1-2H3,(H,20,23)/t15-,16+/m0/s1.
What are the key properties of cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide?
cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124697126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).