tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate

C22H35N3O2 — CID 166926233

IUPACtert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate
SMILESCCC(c1ccc(C2(N)CC2)cc1)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H35N3O2/c1-5-19(16-6-8-17(9-7-16)22(23)12-13-22)25-14-10-18(11-15-25)24-20(26)27-21(2,3)4/h6-9,18-19H,5,10-15,23H2,1-4H3,(H,24,26)
InChIKeyREEOPMFVYWFBRH-UHFFFAOYSA-N
MW373.54 g/mol
LogP4.07
Rot. Bonds5

About tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate (PubChem CID 166926233) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate
PubChem CID166926233
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Nametert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate
SMILESCCC(c1ccc(C2(N)CC2)cc1)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C22H35N3O2/c1-5-19(16-6-8-17(9-7-16)22(23)12-13-22)25-14-10-18(11-15-25)24-20(26)27-21(2,3)4/h6-9,18-19H,5,10-15,23H2,1-4H3,(H,24,26)
InChIKeyREEOPMFVYWFBRH-UHFFFAOYSA-N
XLogP4.07
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]azetidin-3-yl]carbamate
CID 166925973
tert-butyl N-[1-[2-amino-1-(4-aminophenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 44890974
tert-butyl N-[(3S)-1-[(1S)-2-amino-1-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 124525333
[1-[1-(4-bromophenyl)propyl]piperidin-4-yl]urea
CID 71918180
tert-butyl 4-[1-[4-(1-aminoethyl)phenyl]propyl]piperazine-1-carboxylate
CID 175168311
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 55868243
tert-butyl N-[(3S)-1-[(1S)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 124525327
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 56771223
2-(4-methylphenyl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 84819716
tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]-3-methylbutyl]azetidin-3-yl]-N-methylcarbamate
CID 166925991

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate (CID 166926233) is tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate is CCC(c1ccc(C2(N)CC2)cc1)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate?
The InChIKey is REEOPMFVYWFBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-5-19(16-6-8-17(9-7-16)22(23)12-13-22)25-14-10-18(11-15-25)24-20(26)27-21(2,3)4/h6-9,18-19H,5,10-15,23H2,1-4H3,(H,24,26).
What are the key properties of tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate has a molecular weight of 373.54 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-[4-(1-aminocyclopropyl)phenyl]propyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 166926233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).