ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate

C12H24N2O2 — CID 106630010

IUPACethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
SMILESCCCN(CC1CCCNC1)C(=O)OCC
InChIInChI=1S/C12H24N2O2/c1-3-8-14(12(15)16-4-2)10-11-6-5-7-13-9-11/h11,13H,3-10H2,1-2H3
InChIKeyLXTWPRCBHFNVED-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.85
Rot. Bonds5

About ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate

ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate (PubChem CID 106630010) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate.

Molecular Properties

Compound Nameethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
PubChem CID106630010
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate
SMILESCCCN(CC1CCCNC1)C(=O)OCC
InChIInChI=1S/C12H24N2O2/c1-3-8-14(12(15)16-4-2)10-11-6-5-7-13-9-11/h11,13H,3-10H2,1-2H3
InChIKeyLXTWPRCBHFNVED-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
2-[(2-methylpropan-2-yl)oxy]-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628164
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
N-(piperidin-3-ylmethyl)-N-propyloctanamide
CID 106628397
1-methyl-N-(piperidin-3-ylmethyl)-N-propylcyclopentane-1-carboxamide
CID 106628384
N-(piperidin-3-ylmethyl)-N-propylbicyclo[4.1.0]heptane-7-carboxamide
CID 106628333
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea
CID 106630009
2-(oxolan-2-yl)-N-(piperidin-3-ylmethyl)-N-propylacetamide
CID 106628324
2-[(2-piperidin-3-ylacetyl)-propylamino]acetic acid
CID 62675285
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
N-(cyclohexylmethyl)-N-propylpiperidine-3-carboxamide
CID 119302238

Frequently Asked Questions

What is the IUPAC name of ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate?
The IUPAC name of ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate (CID 106630010) is ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate.
What is the SMILES notation for ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate?
The canonical SMILES for ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate is CCCN(CC1CCCNC1)C(=O)OCC.
What is the InChIKey of ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate?
The InChIKey is LXTWPRCBHFNVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-8-14(12(15)16-4-2)10-11-6-5-7-13-9-11/h11,13H,3-10H2,1-2H3.
What are the key properties of ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate?
ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate has a molecular weight of 228.34 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(piperidin-3-ylmethyl)-N-propylcarbamate is sourced from PubChem (CID 106630010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).