1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C23H23N5O2 — CID 17494872

IUPAC1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H23N5O2/c29-22(24-14-17-15-25-28(16-17)19-6-2-1-3-7-19)18-10-12-27(13-11-18)23-26-20-8-4-5-9-21(20)30-23/h1-9,15-16,18H,10-14H2,(H,24,29)
InChIKeyZWTQQBPEFKDDTL-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.55
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 17494872) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID17494872
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C23H23N5O2/c29-22(24-14-17-15-25-28(16-17)19-6-2-1-3-7-19)18-10-12-27(13-11-18)23-26-20-8-4-5-9-21(20)30-23/h1-9,15-16,18H,10-14H2,(H,24,29)
InChIKeyZWTQQBPEFKDDTL-UHFFFAOYSA-N
XLogP3.55
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
CID 3622789
1-(1,3-benzoxazol-2-yl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 32605823
1-(1,3-benzoxazol-2-yl)-N-(2-benzylsulfanylethyl)piperidine-4-carboxamide
CID 24606825
1-(1,3-benzoxazol-2-yl)-N-butylpiperidine-4-carboxamide
CID 15993683
1-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 17482582
1-(1,3-benzoxazol-2-yl)-N-(2,2-diphenylpropyl)piperidine-4-carboxamide
CID 24584539
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
CID 121109523
1-(1,3-benzoxazol-2-yl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18145860
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582
1-(1,3-benzoxazol-2-yl)-N-[2-(cycloheptylamino)ethyl]piperidine-4-carboxamide
CID 119620972
1-(1,3-benzoxazol-2-yl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidine-4-carboxamide
CID 26034550

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 17494872) is 1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide is O=C(NCc1cnn(-c2ccccc2)c1)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ZWTQQBPEFKDDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-22(24-14-17-15-25-28(16-17)19-6-2-1-3-7-19)18-10-12-27(13-11-18)23-26-20-8-4-5-9-21(20)30-23/h1-9,15-16,18H,10-14H2,(H,24,29).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 17494872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).