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

C14H26N2O2 — CID 112544049

IUPACethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CC)CN(CC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-3-11-7-13(15-14(17)18-4-2)10-16(8-11)9-12-5-6-12/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyXLOYKJYJZXURQF-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds5

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

ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate (PubChem CID 112544049) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
PubChem CID112544049
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CC(CC)CN(CC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-3-11-7-13(15-14(17)18-4-2)10-16(8-11)9-12-5-6-12/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyXLOYKJYJZXURQF-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185
N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]acetamide
CID 112541972
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729
benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545085
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112544101
1-(cyclopentylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112544111
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545097
2-[3-(cyclopropylmethyl)-5-(ethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 112544134
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate (CID 112544049) is ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate is CCOC(=O)NC1CC(CC)CN(CC2CC2)C1.
What is the InChIKey of ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate?
The InChIKey is XLOYKJYJZXURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-11-7-13(15-14(17)18-4-2)10-16(8-11)9-12-5-6-12/h11-13H,3-10H2,1-2H3,(H,15,17).
What are the key properties of ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate?
ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112544049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).