N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride

C18H21Cl2N5O2 — CID 119516216

IUPACN-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C18H19N5O2.2ClH/c19-16-6-5-13(11-20-16)21-17(24)12-7-9-23(10-8-12)18-22-14-3-1-2-4-15(14)25-18;;/h1-6,11-12H,7-10H2,(H2,19,20)(H,21,24);2*1H
InChIKeyFVDWIEITZPQJFY-UHFFFAOYSA-N
MW410.31 g/mol
LogP3.50
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride

N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 119516216) has the molecular formula C18H21Cl2N5O2 and a molecular weight of 410.31 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
PubChem CID119516216
Molecular FormulaC18H21Cl2N5O2
Molecular Weight410.31 g/mol
Exact Mass409.11
IUPAC NameN-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cn1
InChIInChI=1S/C18H19N5O2.2ClH/c19-16-6-5-13(11-20-16)21-17(24)12-7-9-23(10-8-12)18-22-14-3-1-2-4-15(14)25-18;;/h1-6,11-12H,7-10H2,(H2,19,20)(H,21,24);2*1H
InChIKeyFVDWIEITZPQJFY-UHFFFAOYSA-N
XLogP3.50
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
N-(3-amino-4-methoxyphenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119420166
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17421563
N-(3-acetamidophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 17428124
1-(1,3-benzoxazol-2-yl)-N-(4-bromo-3-methylphenyl)piperidine-4-carboxamide
CID 34837675
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549
2-[3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]phenoxy]acetic acid
CID 119224677
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 16599200
2-[4-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696424
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride (CID 119516216) is N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride is Cl.Cl.Nc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is FVDWIEITZPQJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2.2ClH/c19-16-6-5-13(11-20-16)21-17(24)12-7-9-23(10-8-12)18-22-14-3-1-2-4-15(14)25-18;;/h1-6,11-12H,7-10H2,(H2,19,20)(H,21,24);2*1H.
What are the key properties of N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride?
N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 410.31 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119516216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).