tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate

C22H35N3O2 — CID 174763798

IUPACtert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCC(c2ccccc2)(N2CCCC2)CC1
InChIInChI=1S/C22H35N3O2/c1-21(2,3)27-20(26)23-13-18-24-16-11-22(12-17-24,25-14-7-8-15-25)19-9-5-4-6-10-19/h4-6,9-10H,7-8,11-18H2,1-3H3,(H,23,26)
InChIKeyOZFIRAUBEFMUEW-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.60
Rot. Bonds5

About tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate

tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate (PubChem CID 174763798) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate
PubChem CID174763798
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Nametert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCC(c2ccccc2)(N2CCCC2)CC1
InChIInChI=1S/C22H35N3O2/c1-21(2,3)27-20(26)23-13-18-24-16-11-22(12-17-24,25-14-7-8-15-25)19-9-5-4-6-10-19/h4-6,9-10H,7-8,11-18H2,1-3H3,(H,23,26)
InChIKeyOZFIRAUBEFMUEW-UHFFFAOYSA-N
XLogP3.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446
tert-butyl N-[(1-benzyl-4-phenylpiperidin-4-yl)methyl]carbamate
CID 59332945
2-[9-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid
CID 170976425
tert-butyl 9-(azetidin-1-yl)-9-phenyl-3-azaspiro[5.5]undecane-3-carboxylate
CID 67354921
tert-butyl N-[2-(2-pyrrolidin-1-ylethylamino)ethyl]carbamate
CID 19420462
tert-butyl N-[(2S)-5-oxo-1-phenyl-5-(2-pyrrolidin-1-ylethylamino)pent-3-en-2-yl]carbamate
CID 69429561
tert-butyl N-[3-[[N-[2-(4-benzylpiperazin-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111886823
tert-butyl N-[4-(4-hydroxy-4-phenylpiperidin-1-yl)-2,2-dimethyl-4-oxobutyl]carbamate
CID 67415587
tert-butyl N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]carbamate
CID 110456704
tert-butyl N-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl-(2-piperidin-1-ylethyl)amino]ethyl]carbamate
CID 151865533
tert-butyl N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]carbamate
CID 39869621
benzyl-[(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidin-3-yl]carbamic acid
CID 135311122

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate (CID 174763798) is tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCC(c2ccccc2)(N2CCCC2)CC1.
What is the InChIKey of tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate?
The InChIKey is OZFIRAUBEFMUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-21(2,3)27-20(26)23-13-18-24-16-11-22(12-17-24,25-14-7-8-15-25)19-9-5-4-6-10-19/h4-6,9-10H,7-8,11-18H2,1-3H3,(H,23,26).
What are the key properties of tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate has a molecular weight of 373.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-phenyl-4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]carbamate is sourced from PubChem (CID 174763798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).