tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate

C24H32N2O3 — CID 97316230

IUPACtert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate
SMILESC[C@@H](NC(=O)Cc1cccc2ccccc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H32N2O3/c1-17(20-12-8-14-26(16-20)23(28)29-24(2,3)4)25-22(27)15-19-11-7-10-18-9-5-6-13-21(18)19/h5-7,9-11,13,17,20H,8,12,14-16H2,1-4H3,(H,25,27)/t17-,20-/m1/s1
InChIKeyLDBAQJREMNCCAP-YLJYHZDGSA-N
MW396.53 g/mol
LogP4.53
Rot. Bonds4

About tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 97316230) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate
PubChem CID97316230
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Nametert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate
SMILESC[C@@H](NC(=O)Cc1cccc2ccccc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H32N2O3/c1-17(20-12-8-14-26(16-20)23(28)29-24(2,3)4)25-22(27)15-19-11-7-10-18-9-5-6-13-21(18)19/h5-7,9-11,13,17,20H,8,12,14-16H2,1-4H3,(H,25,27)/t17-,20-/m1/s1
InChIKeyLDBAQJREMNCCAP-YLJYHZDGSA-N
XLogP4.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate 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 3-[1-(propan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 55212997
tert-butyl (3S)-3-[[(1S)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 175358217
tert-butyl (3R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidine-1-carboxylate
CID 121478883
tert-butyl 3-[1-(1,3-dihydroxypropan-2-ylamino)ethyl]piperidine-1-carboxylate
CID 65312713
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethylamino]acetic acid
CID 63586245
tert-butyl 3-[1-(ethoxyamino)ethyl]piperidine-1-carboxylate
CID 82709755
tert-butyl 3-(1-iodoethyl)piperidine-1-carboxylate
CID 71633205
tert-butyl 3-[1-[(3-methylfuran-2-yl)methylamino]ethyl]piperidine-1-carboxylate
CID 103698909
tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate
CID 102537949
tert-butyl 3-[1-(2-aminoethylamino)ethyl]piperidine-1-carboxylate
CID 63586966
tert-butyl 3-[1-[(4-hydroxy-3-methylbutan-2-yl)amino]ethyl]piperidine-1-carboxylate
CID 103948438

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate (CID 97316230) is tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate is C[C@@H](NC(=O)Cc1cccc2ccccc12)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is LDBAQJREMNCCAP-YLJYHZDGSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-17(20-12-8-14-26(16-20)23(28)29-24(2,3)4)25-22(27)15-19-11-7-10-18-9-5-6-13-21(18)19/h5-7,9-11,13,17,20H,8,12,14-16H2,1-4H3,(H,25,27)/t17-,20-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 396.53 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(1R)-1-[(2-naphthalen-1-ylacetyl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 97316230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).