tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate

C18H35N3O2 — CID 103723649

IUPACtert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NC1CCCN(C)C1
InChIInChI=1S/C18H35N3O2/c1-14(19-15-8-6-10-20(5)13-15)12-16-9-7-11-21(16)17(22)23-18(2,3)4/h14-16,19H,6-13H2,1-5H3
InChIKeyGTTFSXJVODSCMS-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.85
Rot. Bonds4

About tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate (PubChem CID 103723649) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate
PubChem CID103723649
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCCN1C(=O)OC(C)(C)C)NC1CCCN(C)C1
InChIInChI=1S/C18H35N3O2/c1-14(19-15-8-6-10-20(5)13-15)12-16-9-7-11-21(16)17(22)23-18(2,3)4/h14-16,19H,6-13H2,1-5H3
InChIKeyGTTFSXJVODSCMS-UHFFFAOYSA-N
XLogP2.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[2-[(1-methylpiperidin-3-yl)methylamino]propyl]piperidine-1-carboxylate
CID 113248692
tert-butyl 2-[2-[(2-methyloxan-4-yl)amino]propyl]pyrrolidine-1-carboxylate
CID 104871958
tert-butyl 2-[2-(thiolan-3-ylamino)propyl]piperidine-1-carboxylate
CID 103062610
tert-butyl 2-[2-(cyclohex-3-en-1-ylamino)propyl]piperidine-1-carboxylate
CID 103724014
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103738424
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 103748317
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-[2-[(5-oxopyrrolidin-3-yl)amino]propyl]piperidine-1-carboxylate
CID 106182504
tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate
CID 103723728
tert-butyl 2-[2-(2-aminoethylamino)propyl]pyrrolidine-1-carboxylate
CID 79540794

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate (CID 103723649) is tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate is CC(CC1CCCN1C(=O)OC(C)(C)C)NC1CCCN(C)C1.
What is the InChIKey of tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate?
The InChIKey is GTTFSXJVODSCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14(19-15-8-6-10-20(5)13-15)12-16-9-7-11-21(16)17(22)23-18(2,3)4/h14-16,19H,6-13H2,1-5H3.
What are the key properties of tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate has a molecular weight of 325.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(1-methylpiperidin-3-yl)amino]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103723649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).