methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate

C16H28N2O3 — CID 112542210

IUPACmethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(CC2CC2)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)14(19)17-13-8-12(7-11-5-6-11)9-18(10-13)15(20)21-4/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyBIMLQAUYVQEZFE-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.41
Rot. Bonds3

About methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate

methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate (PubChem CID 112542210) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
PubChem CID112542210
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Namemethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(CC2CC2)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)14(19)17-13-8-12(7-11-5-6-11)9-18(10-13)15(20)21-4/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyBIMLQAUYVQEZFE-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542221
N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542085
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
N-[5-(cyclopropylmethyl)-1-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542144
methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543231
methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
CID 83999844
ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83999858
N-[5-(cyclopropylmethyl)-1-(2-methylpropanoyl)piperidin-3-yl]acetamide
CID 112541864
methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544419
N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]acetamide
CID 112541640
N-[5-(2-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542286
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate (CID 112542210) is methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate is COC(=O)N1CC(CC2CC2)CC(NC(=O)C(C)(C)C)C1.
What is the InChIKey of methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
The InChIKey is BIMLQAUYVQEZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,3)14(19)17-13-8-12(7-11-5-6-11)9-18(10-13)15(20)21-4/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 112542210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).