1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide

C25H30N4O3 — CID 42514151

IUPAC1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1
InChIInChI=1S/C25H30N4O3/c30-25(27-20-5-3-4-19(16-20)22-9-12-26-28-22)18-10-13-29(14-11-18)17-21-7-8-24(32-21)23-6-1-2-15-31-23/h3-5,7-9,12,16,18,23H,1-2,6,10-11,13-15,17H2,(H,26,28)(H,27,30)/t23-/m0/s1
InChIKeyMHBRFHLZHOMHJG-QHCPKHFHSA-N
MW434.54 g/mol
LogP4.76
Rot. Bonds6

About 1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide

1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide (PubChem CID 42514151) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
PubChem CID42514151
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1
InChIInChI=1S/C25H30N4O3/c30-25(27-20-5-3-4-19(16-20)22-9-12-26-28-22)18-10-13-29(14-11-18)17-21-7-8-24(32-21)23-6-1-2-15-31-23/h3-5,7-9,12,16,18,23H,1-2,6,10-11,13-15,17H2,(H,26,28)(H,27,30)/t23-/m0/s1
InChIKeyMHBRFHLZHOMHJG-QHCPKHFHSA-N
XLogP4.76
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 126460633
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CID 42519475
1-[(1-methylbenzimidazol-2-yl)methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide
CID 29211136
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CID 72888802
N-[3-(1H-pyrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 138013343
1-[(5-ethylfuran-2-yl)methyl]-N-[3-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 24817026
N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119707800
N-[3-(1H-pyrazol-5-yl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46412516
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-1-carboxamide
CID 79157648
N-[3-(1H-pyrazol-5-yl)phenyl]azepane-2-carboxamide
CID 64563413
1-[[3-(1H-pyrazol-5-yl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122090082
1-[(5-methylfuran-2-yl)methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 70769405

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide (CID 42514151) is 1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2ccn[nH]2)c1)C1CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1.
What is the InChIKey of 1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is MHBRFHLZHOMHJG-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-25(27-20-5-3-4-19(16-20)22-9-12-26-28-22)18-10-13-29(14-11-18)17-21-7-8-24(32-21)23-6-1-2-15-31-23/h3-5,7-9,12,16,18,23H,1-2,6,10-11,13-15,17H2,(H,26,28)(H,27,30)/t23-/m0/s1.
What are the key properties of 1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide?
1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(2S)-oxan-2-yl]furan-2-yl]methyl]-N-[3-(1H-pyrazol-5-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 42514151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).