N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C22H27FN4O3 — CID 24792122

IUPACN-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)CCc2ccc(F)cc2)CC1)C1CCOC1
InChIInChI=1S/C22H27FN4O3/c23-18-4-1-16(2-5-18)3-6-21(28)26-12-8-19(9-13-26)27-20(7-11-24-27)25-22(29)17-10-14-30-15-17/h1-2,4-5,7,11,17,19H,3,6,8-10,12-15H2,(H,25,29)
InChIKeyVJRIHVVJOHXQRJ-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.79
Rot. Bonds6

About N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 24792122) has the molecular formula C22H27FN4O3 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID24792122
Molecular FormulaC22H27FN4O3
Molecular Weight414.48 g/mol
Exact Mass414.21
IUPAC NameN-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)CCc2ccc(F)cc2)CC1)C1CCOC1
InChIInChI=1S/C22H27FN4O3/c23-18-4-1-16(2-5-18)3-6-21(28)26-12-8-19(9-13-26)27-20(7-11-24-27)25-22(29)17-10-14-30-15-17/h1-2,4-5,7,11,17,19H,3,6,8-10,12-15H2,(H,25,29)
InChIKeyVJRIHVVJOHXQRJ-UHFFFAOYSA-N
XLogP2.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-{1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24790106
N-(1-{1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24790481
N-[1-(1-benzyl-4-piperidinyl)-1H-pyrazol-5-yl]-4-phenylbutanamide
CID 24790604
N-(1-{1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24790657
N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24790768
N-[2-[1-(4-isobutylbenzyl)-4-piperidyl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24791278
N-[2-[1-(3-methoxypropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 24791631
N-(1-{1-[(dimethylamino)sulfonyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24792053
4-phenyl-N-{1-[1-(2-phenylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 24793152
N-{1-[1-(2,6-difluorobenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopropanecarboxamide
CID 24793181
N-(1-{1-[(2E)-2-methyl-2-buten-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenylpropanamide
CID 24794307
N-(1-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24817749

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 24792122) is N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is O=C(Nc1ccnn1C1CCN(C(=O)CCc2ccc(F)cc2)CC1)C1CCOC1.
What is the InChIKey of N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is VJRIHVVJOHXQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3/c23-18-4-1-16(2-5-18)3-6-21(28)26-12-8-19(9-13-26)27-20(7-11-24-27)25-22(29)17-10-14-30-15-17/h1-2,4-5,7,11,17,19H,3,6,8-10,12-15H2,(H,25,29).
What are the key properties of N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 24792122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).