3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate

C15H30N2O2 — CID 58742460

IUPAC3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCCCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-13(15(2,3)4)16-14(18)19-12-8-11-17-9-6-5-7-10-17/h13H,5-12H2,1-4H3,(H,16,18)/t13-/m0/s1
InChIKeyXVGMGKWQCWDNSG-ZDUSSCGKSA-N
MW270.42 g/mol
LogP3.02
Rot. Bonds5

About 3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate

3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate (PubChem CID 58742460) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate
PubChem CID58742460
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate
SMILESC[C@H](NC(=O)OCCCN1CCCCC1)C(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-13(15(2,3)4)16-14(18)19-12-8-11-17-9-6-5-7-10-17/h13H,5-12H2,1-4H3,(H,16,18)/t13-/m0/s1
InChIKeyXVGMGKWQCWDNSG-ZDUSSCGKSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate?
The IUPAC name of 3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate (CID 58742460) is 3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate.
What is the SMILES notation for 3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate?
The canonical SMILES for 3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate is C[C@H](NC(=O)OCCCN1CCCCC1)C(C)(C)C.
What is the InChIKey of 3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate?
The InChIKey is XVGMGKWQCWDNSG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-13(15(2,3)4)16-14(18)19-12-8-11-17-9-6-5-7-10-17/h13H,5-12H2,1-4H3,(H,16,18)/t13-/m0/s1.
What are the key properties of 3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate?
3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl N-[(2S)-3,3-dimethylbutan-2-yl]carbamate is sourced from PubChem (CID 58742460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).