ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate

C17H30N2O2 — CID 112544027

IUPACethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CC2CC2)CN(C2CC(C)C2)C1
InChIInChI=1S/C17H30N2O2/c1-3-21-17(20)18-15-9-14(8-13-4-5-13)10-19(11-15)16-6-12(2)7-16/h12-16H,3-11H2,1-2H3,(H,18,20)
InChIKeyKFJAWDFMNSAHHF-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.02
Rot. Bonds5

About ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate

ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate (PubChem CID 112544027) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate
PubChem CID112544027
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Nameethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CC2CC2)CN(C2CC(C)C2)C1
InChIInChI=1S/C17H30N2O2/c1-3-21-17(20)18-15-9-14(8-13-4-5-13)10-19(11-15)16-6-12(2)7-16/h12-16H,3-11H2,1-2H3,(H,18,20)
InChIKeyKFJAWDFMNSAHHF-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134
ethyl N-(1-cyclopentyl-5-propylpiperidin-3-yl)carbamate
CID 112543963
ethyl N-(5-butyl-1-cyclopentylpiperidin-3-yl)carbamate
CID 112543964
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
N-(cyclobutylmethyl)-5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-amine
CID 83997348
ethyl N-[5-butyl-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544038
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544049
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544046
ethyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542221
methyl N-(5-butyl-1-cyclopropylpiperidin-3-yl)carbamate
CID 112543336

Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate (CID 112544027) is ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate is CCOC(=O)NC1CC(CC2CC2)CN(C2CC(C)C2)C1.
What is the InChIKey of ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate?
The InChIKey is KFJAWDFMNSAHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-21-17(20)18-15-9-14(8-13-4-5-13)10-19(11-15)16-6-12(2)7-16/h12-16H,3-11H2,1-2H3,(H,18,20).
What are the key properties of ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate?
ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate has a molecular weight of 294.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 112544027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).