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

C17H30N2O3 — CID 112542221

IUPACethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC(CC2CC2)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C17H30N2O3/c1-5-22-16(21)19-10-13(8-12-6-7-12)9-14(11-19)18-15(20)17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyBGKAXDUKSIENND-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.80
Rot. Bonds4

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

ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate (PubChem CID 112542221) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
PubChem CID112542221
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nameethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CC(CC2CC2)CC(NC(=O)C(C)(C)C)C1
InChIInChI=1S/C17H30N2O3/c1-5-22-16(21)19-10-13(8-12-6-7-12)9-14(11-19)18-15(20)17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyBGKAXDUKSIENND-UHFFFAOYSA-N
XLogP2.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542210
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
N-[5-(cyclopropylmethyl)-1-methylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542085
ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83999858
ethyl 3-amino-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83989098
N-[5-(cyclopropylmethyl)-1-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542144
ethyl 3-ethyl-5-(methylamino)piperidine-1-carboxylate
CID 83989692
methyl N-[1-butanoyl-5-(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543231
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134
ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544027
N-[5-(cyclopropylmethyl)-1-(2-methylpropanoyl)piperidin-3-yl]acetamide
CID 112541864
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate (CID 112542221) is ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate is CCOC(=O)N1CC(CC2CC2)CC(NC(=O)C(C)(C)C)C1.
What is the InChIKey of ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
The InChIKey is BGKAXDUKSIENND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-5-22-16(21)19-10-13(8-12-6-7-12)9-14(11-19)18-15(20)17(2,3)4/h12-14H,5-11H2,1-4H3,(H,18,20).
What are the key properties of ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate?
ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 112542221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).