tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate

C29H40N4O2 — CID 165371345

IUPACtert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCn1c2ccncc2c2ccc(C3CCN(CCC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc21
InChIInChI=1S/C29H40N4O2/c1-29(2,3)35-28(34)33-17-9-21(10-18-33)8-14-32-15-11-22(12-16-32)23-5-6-24-25-20-30-13-7-26(25)31(4)27(24)19-23/h5-7,13,19-22H,8-12,14-18H2,1-4H3
InChIKeyNPXPFMIZUMRMMB-UHFFFAOYSA-N
MW476.67 g/mol
LogP5.94
Rot. Bonds4

About tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate (PubChem CID 165371345) has the molecular formula C29H40N4O2 and a molecular weight of 476.67 g/mol. Its IUPAC name is tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate
PubChem CID165371345
Molecular FormulaC29H40N4O2
Molecular Weight476.67 g/mol
Exact Mass476.32
IUPAC Nametert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate
SMILESCn1c2ccncc2c2ccc(C3CCN(CCC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc21
InChIInChI=1S/C29H40N4O2/c1-29(2,3)35-28(34)33-17-9-21(10-18-33)8-14-32-15-11-22(12-16-32)23-5-6-24-25-20-30-13-7-26(25)31(4)27(24)19-23/h5-7,13,19-22H,8-12,14-18H2,1-4H3
InChIKeyNPXPFMIZUMRMMB-UHFFFAOYSA-N
XLogP5.94
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate with MolForge

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Related Compounds

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tert-butyl 3-[4-[[5-(5-methylpyrido[4,3-b]indol-7-yl)-2-pyridinyl]oxy]piperidin-1-yl]azetidine-1-carboxylate
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tert-butyl 4-[2-(4-cyclopropylphenyl)ethyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate (CID 165371345) is tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate is Cn1c2ccncc2c2ccc(C3CCN(CCC4CCN(C(=O)OC(C)(C)C)CC4)CC3)cc21.
What is the InChIKey of tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate?
The InChIKey is NPXPFMIZUMRMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O2/c1-29(2,3)35-28(34)33-17-9-21(10-18-33)8-14-32-15-11-22(12-16-32)23-5-6-24-25-20-30-13-7-26(25)31(4)27(24)19-23/h5-7,13,19-22H,8-12,14-18H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 476.67 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[4-(5-methylpyrido[4,3-b]indol-7-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 165371345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).