N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide

C36H64Br2N4O2 — CID 13300519

IUPACN,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide
SMILESBr.Br.CCCCN(CCCC)C(=O)C1CCCN(Cc2ccc(CN3CCCC(C(=O)N(CCCC)CCCC)C3)cc2)C1
InChIInChI=1S/C36H62N4O2.2BrH/c1-5-9-23-39(24-10-6-2)35(41)33-15-13-21-37(29-33)27-31-17-19-32(20-18-31)28-38-22-14-16-34(30-38)36(42)40(25-11-7-3)26-12-8-4;;/h17-20,33-34H,5-16,21-30H2,1-4H3;2*1H
InChIKeyVAUKVPJXKUIOOL-UHFFFAOYSA-N
MW744.74 g/mol
LogP8.12
Rot. Bonds18

About N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide

N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide (PubChem CID 13300519) has the molecular formula C36H64Br2N4O2 and a molecular weight of 744.74 g/mol. Its IUPAC name is N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide.

Molecular Properties

Compound NameN,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide
PubChem CID13300519
Molecular FormulaC36H64Br2N4O2
Molecular Weight744.74 g/mol
Exact Mass742.34
IUPAC NameN,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide
SMILESBr.Br.CCCCN(CCCC)C(=O)C1CCCN(Cc2ccc(CN3CCCC(C(=O)N(CCCC)CCCC)C3)cc2)C1
InChIInChI=1S/C36H62N4O2.2BrH/c1-5-9-23-39(24-10-6-2)35(41)33-15-13-21-37(29-33)27-31-17-19-32(20-18-31)28-38-22-14-16-34(30-38)36(42)40(25-11-7-3)26-12-8-4;;/h17-20,33-34H,5-16,21-30H2,1-4H3;2*1H
InChIKeyVAUKVPJXKUIOOL-UHFFFAOYSA-N
XLogP8.12
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.74
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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GT-12
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Cambridge id 5260289
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CID 5310615
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CID 5310857
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CID 10335000
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 20968300
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CID 24790742

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide?
The IUPAC name of N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide (CID 13300519) is N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide.
What is the SMILES notation for N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide?
The canonical SMILES for N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide is Br.Br.CCCCN(CCCC)C(=O)C1CCCN(Cc2ccc(CN3CCCC(C(=O)N(CCCC)CCCC)C3)cc2)C1.
What is the InChIKey of N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide?
The InChIKey is VAUKVPJXKUIOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H62N4O2.2BrH/c1-5-9-23-39(24-10-6-2)35(41)33-15-13-21-37(29-33)27-31-17-19-32(20-18-31)28-38-22-14-16-34(30-38)36(42)40(25-11-7-3)26-12-8-4;;/h17-20,33-34H,5-16,21-30H2,1-4H3;2*1H.
What are the key properties of N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide?
N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide has a molecular weight of 744.74 g/mol, XLogP of 8.12, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-[[4-[[3-(dibutylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrobromide is sourced from PubChem (CID 13300519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).