butyl N-cyclopropyl-N-piperidin-4-ylcarbamate

C13H24N2O2 — CID 90908771

IUPACbutyl N-cyclopropyl-N-piperidin-4-ylcarbamate
SMILESCCCCOC(=O)N(C1CCNCC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-2-3-10-17-13(16)15(11-4-5-11)12-6-8-14-9-7-12/h11-12,14H,2-10H2,1H3
InChIKeyIALVMJSRMXVSDB-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds5

About butyl N-cyclopropyl-N-piperidin-4-ylcarbamate

butyl N-cyclopropyl-N-piperidin-4-ylcarbamate (PubChem CID 90908771) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is butyl N-cyclopropyl-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Namebutyl N-cyclopropyl-N-piperidin-4-ylcarbamate
PubChem CID90908771
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namebutyl N-cyclopropyl-N-piperidin-4-ylcarbamate
SMILESCCCCOC(=O)N(C1CCNCC1)C1CC1
InChIInChI=1S/C13H24N2O2/c1-2-3-10-17-13(16)15(11-4-5-11)12-6-8-14-9-7-12/h11-12,14H,2-10H2,1H3
InChIKeyIALVMJSRMXVSDB-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl N,N-dicyclohexylcarbamate
CID 13416417
butyl N-methyl-N-pyrrolidin-2-ylcarbamate
CID 66820260
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
pentyl N-cyclohexyl-N-methylcarbamate
CID 141208819
butyl N,N-bis(sulfanyl)carbamate;nickel
CID 88645134
butyl N-amino-N-ethylcarbamate
CID 87167247
tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
CID 154998041
butyl N-carbamothioyl-N-ethylcarbamate
CID 174602935
ethyl N-(2-methoxyethyl)-N-piperidin-4-ylcarbamate
CID 156856713
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
CID 104565100
ethyl N-ethyl-N-pyrrolidin-3-ylcarbamate
CID 60805526
butyl 2-methyl-2-pyrrolidin-3-ylpropanoate
CID 11564749

Frequently Asked Questions

What is the IUPAC name of butyl N-cyclopropyl-N-piperidin-4-ylcarbamate?
The IUPAC name of butyl N-cyclopropyl-N-piperidin-4-ylcarbamate (CID 90908771) is butyl N-cyclopropyl-N-piperidin-4-ylcarbamate.
What is the SMILES notation for butyl N-cyclopropyl-N-piperidin-4-ylcarbamate?
The canonical SMILES for butyl N-cyclopropyl-N-piperidin-4-ylcarbamate is CCCCOC(=O)N(C1CCNCC1)C1CC1.
What is the InChIKey of butyl N-cyclopropyl-N-piperidin-4-ylcarbamate?
The InChIKey is IALVMJSRMXVSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-3-10-17-13(16)15(11-4-5-11)12-6-8-14-9-7-12/h11-12,14H,2-10H2,1H3.
What are the key properties of butyl N-cyclopropyl-N-piperidin-4-ylcarbamate?
butyl N-cyclopropyl-N-piperidin-4-ylcarbamate has a molecular weight of 240.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-cyclopropyl-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 90908771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).