1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

C18H29Cl3N4O2 — CID 119856460

IUPAC1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C18H27ClN4O2.2ClH/c19-15-8-9-16(21-12-15)22-18(25)14-6-5-11-23(13-14)17(24)7-3-1-2-4-10-20;;/h8-9,12,14H,1-7,10-11,13,20H2,(H,21,22,25);2*1H
InChIKeyZLUANQKLTFMKLM-UHFFFAOYSA-N
MW439.82 g/mol
LogP3.66
Rot. Bonds8

About 1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride

1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119856460) has the molecular formula C18H29Cl3N4O2 and a molecular weight of 439.82 g/mol. Its IUPAC name is 1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119856460
Molecular FormulaC18H29Cl3N4O2
Molecular Weight439.82 g/mol
Exact Mass438.14
IUPAC Name1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
InChIInChI=1S/C18H27ClN4O2.2ClH/c19-15-8-9-16(21-12-15)22-18(25)14-6-5-11-23(13-14)17(24)7-3-1-2-4-10-20;;/h8-9,12,14H,1-7,10-11,13,20H2,(H,21,22,25);2*1H
InChIKeyZLUANQKLTFMKLM-UHFFFAOYSA-N
XLogP3.66
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
1-[4-(4-acetyl-2-methoxyphenoxy)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55924665
N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide
CID 55930887
N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
CID 55815418
N-(5-chloro-2-pyridinyl)-1-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoyl]piperidine-3-carboxamide
CID 55815661
N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide
CID 55993702
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 120798562
N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407
N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119856489
N-(5-chloro-2-pyridinyl)-1-[3-(3-cyclopropyl-4-oxoquinazolin-2-yl)propanoyl]piperidine-3-carboxamide
CID 55930625

Frequently Asked Questions

What is the IUPAC name of 1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of 1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride (CID 119856460) is 1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for 1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is Cl.Cl.NCCCCCCC(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1.
What is the InChIKey of 1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is ZLUANQKLTFMKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN4O2.2ClH/c19-15-8-9-16(21-12-15)22-18(25)14-6-5-11-23(13-14)17(24)7-3-1-2-4-10-20;;/h8-9,12,14H,1-7,10-11,13,20H2,(H,21,22,25);2*1H.
What are the key properties of 1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride?
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 439.82 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119856460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).