[(3S)-piperidin-3-yl] N-butylcarbamate

C10H20N2O2 — CID 79346387

IUPAC[(3S)-piperidin-3-yl] N-butylcarbamate
SMILESCCCCNC(=O)O[C@H]1CCCNC1
InChIInChI=1S/C10H20N2O2/c1-2-3-7-12-10(13)14-9-5-4-6-11-8-9/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyZGEYAGGICVCERA-VIFPVBQESA-N
MW200.28 g/mol
LogP1.26
Rot. Bonds4

About [(3S)-piperidin-3-yl] N-butylcarbamate

[(3S)-piperidin-3-yl] N-butylcarbamate (PubChem CID 79346387) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [(3S)-piperidin-3-yl] N-butylcarbamate.

Molecular Properties

Compound Name[(3S)-piperidin-3-yl] N-butylcarbamate
PubChem CID79346387
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name[(3S)-piperidin-3-yl] N-butylcarbamate
SMILESCCCCNC(=O)O[C@H]1CCCNC1
InChIInChI=1S/C10H20N2O2/c1-2-3-7-12-10(13)14-9-5-4-6-11-8-9/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyZGEYAGGICVCERA-VIFPVBQESA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.26
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

piperidin-3-yl N-butylcarbamate
CID 68747208
cyclopropyl N-butylcarbamate
CID 165447718
2-[(3S)-piperidin-3-yl]oxy-N-propylpropanamide
CID 66245011
[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate
CID 174695074
cyclopentyl N-(3-propylsulfanylpropyl)carbamate
CID 141077176
pyrrolidin-3-yl N-[2-[(2R)-pyrrolidin-2-yl]ethyl]carbamate
CID 176952268
1-heptyl-3-piperidin-3-ylurea
CID 142180143
2-pyrrolidin-3-ylethyl N-butylcarbamate
CID 114796626
N-pentyl-2-pyrrolidin-3-yloxypropanamide
CID 62327735
(3R)-N-(3-butoxypropyl)piperidine-3-carboxamide
CID 113481104
1-butyl-3-(1-piperidin-3-ylethyl)urea
CID 43523386
azetidin-3-yl N-ethylcarbamate
CID 79338252

Frequently Asked Questions

What is the IUPAC name of [(3S)-piperidin-3-yl] N-butylcarbamate?
The IUPAC name of [(3S)-piperidin-3-yl] N-butylcarbamate (CID 79346387) is [(3S)-piperidin-3-yl] N-butylcarbamate.
What is the SMILES notation for [(3S)-piperidin-3-yl] N-butylcarbamate?
The canonical SMILES for [(3S)-piperidin-3-yl] N-butylcarbamate is CCCCNC(=O)O[C@H]1CCCNC1.
What is the InChIKey of [(3S)-piperidin-3-yl] N-butylcarbamate?
The InChIKey is ZGEYAGGICVCERA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-3-7-12-10(13)14-9-5-4-6-11-8-9/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of [(3S)-piperidin-3-yl] N-butylcarbamate?
[(3S)-piperidin-3-yl] N-butylcarbamate has a molecular weight of 200.28 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-piperidin-3-yl] N-butylcarbamate is sourced from PubChem (CID 79346387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).