tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate

C18H34N2O2 — CID 112544734

IUPACtert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
SMILESCCCC1CC(NC(=O)OC(C)(C)C)CN(CC2CCC2)C1
InChIInChI=1S/C18H34N2O2/c1-5-7-15-10-16(19-17(21)22-18(2,3)4)13-20(12-15)11-14-8-6-9-14/h14-16H,5-13H2,1-4H3,(H,19,21)
InChIKeyZWUBAFKDAWVEBF-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.80
Rot. Bonds5

About tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate

tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate (PubChem CID 112544734) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
PubChem CID112544734
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate
SMILESCCCC1CC(NC(=O)OC(C)(C)C)CN(CC2CCC2)C1
InChIInChI=1S/C18H34N2O2/c1-5-7-15-10-16(19-17(21)22-18(2,3)4)13-20(12-15)11-14-8-6-9-14/h14-16H,5-13H2,1-4H3,(H,19,21)
InChIKeyZWUBAFKDAWVEBF-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propylpiperidin-3-yl]acetic acid
CID 112544339
tert-butyl N-[1-(3-methylbutanoyl)-5-propylpiperidin-3-yl]carbamate
CID 112544520
N-[1-(cyclopentylmethyl)-5-(2-hydroxyethyl)piperidin-3-yl]acetamide
CID 112542022
methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
CID 112543460
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412
tert-butyl N-[5-(2-cyclopropyl-2-hydroxyethyl)-1-propylpiperidin-3-yl]carbamate
CID 112544349
tert-butyl N-[(2S)-2-[(3-propylpiperidin-1-yl)methyl]cyclohexyl]carbamate
CID 143571188
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate (CID 112544734) is tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate is CCCC1CC(NC(=O)OC(C)(C)C)CN(CC2CCC2)C1.
What is the InChIKey of tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate?
The InChIKey is ZWUBAFKDAWVEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-5-7-15-10-16(19-17(21)22-18(2,3)4)13-20(12-15)11-14-8-6-9-14/h14-16H,5-13H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate?
tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate has a molecular weight of 310.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(cyclobutylmethyl)-5-propylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112544734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).