tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate

C25H46N4O4 — CID 15383398

IUPACtert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCOC(=O)CCN1CCC(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C25H46N4O4/c1-25(2,3)33-24(31)29-15-6-21(7-16-29)5-11-27-17-19-28(20-18-27)22-8-12-26(13-9-22)14-10-23(30)32-4/h21-22H,5-20H2,1-4H3
InChIKeyKCGJYMQOFLEASN-UHFFFAOYSA-N
MW466.67 g/mol
LogP2.67
Rot. Bonds7

About tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 15383398) has the molecular formula C25H46N4O4 and a molecular weight of 466.67 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
PubChem CID15383398
Molecular FormulaC25H46N4O4
Molecular Weight466.67 g/mol
Exact Mass466.35
IUPAC Nametert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCOC(=O)CCN1CCC(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1
InChIInChI=1S/C25H46N4O4/c1-25(2,3)33-24(31)29-15-6-21(7-16-29)5-11-27-17-19-28(20-18-27)22-8-12-26(13-9-22)14-10-23(30)32-4/h21-22H,5-20H2,1-4H3
InChIKeyKCGJYMQOFLEASN-UHFFFAOYSA-N
XLogP2.67
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
methyl 3-(4-cyclopentylpiperazin-1-yl)propanoate
CID 60745212
tert-butyl 4-[2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 20641747
tert-butyl 4-[4-[2-[1-(2-methoxy-2-oxoethyl)piperidin-4-yl]oxyacetyl]piperazin-1-yl]piperidine-1-carboxylate
CID 139782752
tert-butyl 4-[2-[4-[4-(2-methoxy-2-oxoethoxy)phenyl]piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 19602823
tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate
CID 56800818
tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate
CID 70085519
tert-butyl 4-[4-(oxetan-3-yl)piperazin-1-yl]piperidine-1-carboxylate
CID 146498115
tert-butyl 4-[2-[4-[4-[acetyl-(2-methoxy-2-oxoethyl)amino]phenyl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 19602801
methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate
CID 61441517
tert-butyl 4-[(1-cyclohexylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 166459229
tert-butyl 3-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 22184663

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate (CID 15383398) is tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate is COC(=O)CCN1CCC(N2CCN(CCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1.
What is the InChIKey of tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is KCGJYMQOFLEASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O4/c1-25(2,3)33-24(31)29-15-6-21(7-16-29)5-11-27-17-19-28(20-18-27)22-8-12-26(13-9-22)14-10-23(30)32-4/h21-22H,5-20H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 466.67 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 15383398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).