tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate

C22H38N2O4 — CID 102559224

IUPACtert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)CCC2CCCCO2)CC1
InChIInChI=1S/C22H38N2O4/c1-22(2,3)28-21(26)24(16-17-7-8-17)18-11-13-23(14-12-18)20(25)10-9-19-6-4-5-15-27-19/h17-19H,4-16H2,1-3H3
InChIKeyRWSDPZIDOFITMW-UHFFFAOYSA-N
MW394.56 g/mol
LogP3.97
Rot. Bonds6

About tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate

tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate (PubChem CID 102559224) has the molecular formula C22H38N2O4 and a molecular weight of 394.56 g/mol. Its IUPAC name is tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate
PubChem CID102559224
Molecular FormulaC22H38N2O4
Molecular Weight394.56 g/mol
Exact Mass394.28
IUPAC Nametert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)CCC2CCCCO2)CC1
InChIInChI=1S/C22H38N2O4/c1-22(2,3)28-21(26)24(16-17-7-8-17)18-11-13-23(14-12-18)20(25)10-9-19-6-4-5-15-27-19/h17-19H,4-16H2,1-3H3
InChIKeyRWSDPZIDOFITMW-UHFFFAOYSA-N
XLogP3.97
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(chloromethyl)piperidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 63951405
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
1-(3-chloro-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 102961397
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(oxan-2-yl)propan-1-one
CID 80707454
1-[3-(bromomethyl)pyrrolidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 80667375
1-(4-bromopiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 80661560
tert-butyl N-[[(3S)-1-(2-aminoacetyl)pyrrolidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 96553670
tert-butyl N-(cyclohexylmethyl)-N-piperidin-4-ylcarbamate
CID 22120289
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 103900586
tert-butyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-cyclopropylcarbamate
CID 66566243
tert-butyl N-methyl-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 66626438
tert-butyl 4-(3-cyclopentylpropanoyl)piperazine-1-carboxylate
CID 11529681

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate (CID 102559224) is tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)N(CC1CC1)C1CCN(C(=O)CCC2CCCCO2)CC1.
What is the InChIKey of tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate?
The InChIKey is RWSDPZIDOFITMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O4/c1-22(2,3)28-21(26)24(16-17-7-8-17)18-11-13-23(14-12-18)20(25)10-9-19-6-4-5-15-27-19/h17-19H,4-16H2,1-3H3.
What are the key properties of tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate?
tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate has a molecular weight of 394.56 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(cyclopropylmethyl)-N-[1-[3-(oxan-2-yl)propanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 102559224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).