1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide

C22H25N5O3 — CID 60576710

IUPAC1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccnc1N1CCOCC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H25N5O3/c28-21(24-18-5-3-9-23-20(18)26-12-14-29-15-13-26)16-7-10-27(11-8-16)22-25-17-4-1-2-6-19(17)30-22/h1-6,9,16H,7-8,10-15H2,(H,24,28)
InChIKeyORIKGXZVUDJHCI-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.91
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 60576710) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
PubChem CID60576710
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccnc1N1CCOCC1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H25N5O3/c28-21(24-18-5-3-9-23-20(18)26-12-14-29-15-13-26)16-7-10-27(11-8-16)22-25-17-4-1-2-6-19(17)30-22/h1-6,9,16H,7-8,10-15H2,(H,24,28)
InChIKeyORIKGXZVUDJHCI-UHFFFAOYSA-N
XLogP2.91
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 30884800
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
N-(2-anilinophenyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 112807549
N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide
CID 119845829
1-(1,3-benzoxazol-2-yl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17423416
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 25337579
methyl 3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 24684211
1-(1,3-benzoxazol-2-yl)-N-(5-chloro-2-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 16597479
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
N-(6-amino-3-pyridinyl)-1-(1,3-benzoxazol-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119516216

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide (CID 60576710) is 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide is O=C(Nc1cccnc1N1CCOCC1)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is ORIKGXZVUDJHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-21(24-18-5-3-9-23-20(18)26-12-14-29-15-13-26)16-7-10-27(11-8-16)22-25-17-4-1-2-6-19(17)30-22/h1-6,9,16H,7-8,10-15H2,(H,24,28).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-(2-morpholin-4-yl-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 60576710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).