N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride

C17H21Cl2N3O2 — CID 119386172

IUPACN-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C17H19N3O2.2ClH/c21-17(20-14-4-8-18-9-5-14)13-2-1-3-16(12-13)22-15-6-10-19-11-7-15;;/h1-3,6-7,10-12,14,18H,4-5,8-9H2,(H,20,21);2*1H
InChIKeyQZODSTCVWFIIPQ-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.20
Rot. Bonds4

About N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride

N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride (PubChem CID 119386172) has the molecular formula C17H21Cl2N3O2 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride
PubChem CID119386172
Molecular FormulaC17H21Cl2N3O2
Molecular Weight370.28 g/mol
Exact Mass369.10
IUPAC NameN-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C17H19N3O2.2ClH/c21-17(20-14-4-8-18-9-5-14)13-2-1-3-16(12-13)22-15-6-10-19-11-7-15;;/h1-3,6-7,10-12,14,18H,4-5,8-9H2,(H,20,21);2*1H
InChIKeyQZODSTCVWFIIPQ-UHFFFAOYSA-N
XLogP3.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenoxy-N-piperidin-4-ylbenzamide
CID 71730778
N-piperidin-4-yl-3-pyrazin-2-yloxybenzamide;dihydrochloride
CID 119388069
N-cyclopentyl-3-phenoxybenzamide
CID 2684460
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-yloxybenzamide
CID 136512292
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
3-[(2-bromophenyl)methoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385922
3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 97279626
N-(2-amino-1-cyclopropylethyl)-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 86813863
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333
6-(3-bromophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119388966
N-[3-(methylamino)propyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 119429876

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride?
The IUPAC name of N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride (CID 119386172) is N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride.
What is the SMILES notation for N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride?
The canonical SMILES for N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride is Cl.Cl.O=C(NC1CCNCC1)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride?
The InChIKey is QZODSTCVWFIIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2.2ClH/c21-17(20-14-4-8-18-9-5-14)13-2-1-3-16(12-13)22-15-6-10-19-11-7-15;;/h1-3,6-7,10-12,14,18H,4-5,8-9H2,(H,20,21);2*1H.
What are the key properties of N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride?
N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride has a molecular weight of 370.28 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-3-pyridin-4-yloxybenzamide;dihydrochloride is sourced from PubChem (CID 119386172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).