N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride

C18H28Cl3N5O2 — CID 120982476

IUPACN-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Cl)cn1)C1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C18H26ClN5O2.2ClH/c19-15-1-2-16(21-13-15)22-18(26)14-3-8-23(9-4-14)10-5-17(25)24-11-6-20-7-12-24;;/h1-2,13-14,20H,3-12H2,(H,21,22,26);2*1H
InChIKeyHYRBBVAZTJKSJM-UHFFFAOYSA-N
MW452.81 g/mol
LogP2.05
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride

N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120982476) has the molecular formula C18H28Cl3N5O2 and a molecular weight of 452.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120982476
Molecular FormulaC18H28Cl3N5O2
Molecular Weight452.81 g/mol
Exact Mass451.13
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Cl)cn1)C1CCN(CCC(=O)N2CCNCC2)CC1
InChIInChI=1S/C18H26ClN5O2.2ClH/c19-15-1-2-16(21-13-15)22-18(26)14-3-8-23(9-4-14)10-5-17(25)24-11-6-20-7-12-24;;/h1-2,13-14,20H,3-12H2,(H,21,22,26);2*1H
InChIKeyHYRBBVAZTJKSJM-UHFFFAOYSA-N
XLogP2.05
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.81
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
N-(4-hydroxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120981373
N-(5-chloro-2-pyridinyl)-1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525544
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525471
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 55923776
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxamide
CID 55855975
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(1-phenylethylamino)propyl]piperidine-4-carboxamide
CID 56525511
N-(5-chloro-2-pyridinyl)-2-piperazin-1-ylacetamide
CID 28881141
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
N-(5-chloro-2-pyridinyl)-1-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]piperidine-4-carboxamide
CID 56525559
N-(5-chloro-2-pyridinyl)-1-[2-(4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 55815413
N-(2-methoxyphenyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120981028

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride (CID 120982476) is N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(Cl)cn1)C1CCN(CCC(=O)N2CCNCC2)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is HYRBBVAZTJKSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O2.2ClH/c19-15-1-2-16(21-13-15)22-18(26)14-3-8-23(9-4-14)10-5-17(25)24-11-6-20-7-12-24;;/h1-2,13-14,20H,3-12H2,(H,21,22,26);2*1H.
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride?
N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 452.81 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(3-oxo-3-piperazin-1-ylpropyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120982476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).