N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride

C17H25BrCl2N4O2 — CID 119856404

IUPACN-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C17H23BrN4O2.2ClH/c18-13-6-7-15(20-10-13)21-16(23)12-4-3-9-22(11-12)17(24)14-5-1-2-8-19-14;;/h6-7,10,12,14,19H,1-5,8-9,11H2,(H,20,21,23);2*1H
InChIKeyBNEHYCQZCMFDFO-UHFFFAOYSA-N
MW468.22 g/mol
LogP3.01
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride

N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119856404) has the molecular formula C17H25BrCl2N4O2 and a molecular weight of 468.22 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119856404
Molecular FormulaC17H25BrCl2N4O2
Molecular Weight468.22 g/mol
Exact Mass466.05
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)C2CCCCN2)C1
InChIInChI=1S/C17H23BrN4O2.2ClH/c18-13-6-7-15(20-10-13)21-16(23)12-4-3-9-22(11-12)17(24)14-5-1-2-8-19-14;;/h6-7,10,12,14,19H,1-5,8-9,11H2,(H,20,21,23);2*1H
InChIKeyBNEHYCQZCMFDFO-UHFFFAOYSA-N
XLogP3.01
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.22
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 55930745
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
(3S)-N-(5-bromo-2-pyridinyl)-1-[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 95345085
(3S)-N-(5-bromo-2-pyridinyl)-1-[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 95345083
N-methyl-1-[(2S)-piperidine-2-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119783429
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 55992804
N-(5-bromo-2-pyridinyl)-1-(4-methoxynaphthalene-1-carbonyl)piperidine-3-carboxamide
CID 112798153
N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 55931379

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride (CID 119856404) is N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)C2CCCCN2)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is BNEHYCQZCMFDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O2.2ClH/c18-13-6-7-15(20-10-13)21-16(23)12-4-3-9-22(11-12)17(24)14-5-1-2-8-19-14;;/h6-7,10,12,14,19H,1-5,8-9,11H2,(H,20,21,23);2*1H.
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride?
N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 468.22 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119856404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).