butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate

C14H24N2O3 — CID 108565971

IUPACbutyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
SMILESCCCCOC(=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-3-10-19-14(18)15-12-6-8-16(9-7-12)13(17)11-4-5-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyWZMRKZBJXCSWQO-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.91
Rot. Bonds5

About butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate

butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate (PubChem CID 108565971) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
PubChem CID108565971
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namebutyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
SMILESCCCCOC(=O)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-2-3-10-19-14(18)15-12-6-8-16(9-7-12)13(17)11-4-5-11/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyWZMRKZBJXCSWQO-UHFFFAOYSA-N
XLogP1.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.91
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

2,2,2-trifluoroethyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 65173925
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43711915
butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate
CID 108563672
butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate
CID 108563754
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78877614
2-hydroxyethyl N-(1-butylpiperidin-4-yl)carbamate
CID 79345508
butyl N-(4-formylcyclohexyl)carbamate
CID 87266632
ethyl 4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 51165095
tert-butyl 4-amino-5-[4-(butoxycarbonylamino)piperidin-1-yl]-5-oxopentanoate
CID 66854395
octyl N-cyclohexylcarbamate
CID 141434119
octadecyl N-cyclohexylcarbamate
CID 70449091
butyl 4-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 108563148

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
The IUPAC name of butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate (CID 108565971) is butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate is CCCCOC(=O)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
The InChIKey is WZMRKZBJXCSWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-3-10-19-14(18)15-12-6-8-16(9-7-12)13(17)11-4-5-11/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate?
butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate has a molecular weight of 268.36 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108565971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).