butyl N-(piperidin-3-ylmethyl)carbamate

C11H22N2O2 — CID 154053920

IUPACbutyl N-(piperidin-3-ylmethyl)carbamate
SMILESCCCCOC(=O)NCC1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-2-3-7-15-11(14)13-9-10-5-4-6-12-8-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyVQPHBRNNIZZFHW-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds5

About butyl N-(piperidin-3-ylmethyl)carbamate

butyl N-(piperidin-3-ylmethyl)carbamate (PubChem CID 154053920) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is butyl N-(piperidin-3-ylmethyl)carbamate.

Molecular Properties

Compound Namebutyl N-(piperidin-3-ylmethyl)carbamate
PubChem CID154053920
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namebutyl N-(piperidin-3-ylmethyl)carbamate
SMILESCCCCOC(=O)NCC1CCCNC1
InChIInChI=1S/C11H22N2O2/c1-2-3-7-15-11(14)13-9-10-5-4-6-12-8-10/h10,12H,2-9H2,1H3,(H,13,14)
InChIKeyVQPHBRNNIZZFHW-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
2-pyrrolidin-3-ylethyl N-butylcarbamate
CID 114796626
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
2-butoxy-N-(2-piperidin-3-ylethyl)acetamide
CID 119556293
methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
CID 117126374
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide;hydrochloride
CID 119463444
ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate
CID 114463214
2-(carbamoylamino)-N-(piperidin-3-ylmethyl)hexanamide;hydrochloride
CID 119460747
(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
CID 99978745
3,4-dimethylpent-2-en-2-yl N-(piperidin-3-ylmethyl)carbamate
CID 91043993
2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119462657
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690

Frequently Asked Questions

What is the IUPAC name of butyl N-(piperidin-3-ylmethyl)carbamate?
The IUPAC name of butyl N-(piperidin-3-ylmethyl)carbamate (CID 154053920) is butyl N-(piperidin-3-ylmethyl)carbamate.
What is the SMILES notation for butyl N-(piperidin-3-ylmethyl)carbamate?
The canonical SMILES for butyl N-(piperidin-3-ylmethyl)carbamate is CCCCOC(=O)NCC1CCCNC1.
What is the InChIKey of butyl N-(piperidin-3-ylmethyl)carbamate?
The InChIKey is VQPHBRNNIZZFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-7-15-11(14)13-9-10-5-4-6-12-8-10/h10,12H,2-9H2,1H3,(H,13,14).
What are the key properties of butyl N-(piperidin-3-ylmethyl)carbamate?
butyl N-(piperidin-3-ylmethyl)carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-(piperidin-3-ylmethyl)carbamate is sourced from PubChem (CID 154053920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).