N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

C22H28N4O3 — CID 45196363

IUPACN-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C22H28N4O3/c27-21(7-6-17-4-2-1-3-5-17)24-20-8-12-23-26(20)19-9-13-25(14-10-19)22(28)18-11-15-29-16-18/h1-5,8,12,18-19H,6-7,9-11,13-16H2,(H,24,27)
InChIKeyZWZFXWRNUGROGJ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.65
Rot. Bonds6

About N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide

N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (PubChem CID 45196363) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
PubChem CID45196363
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2CCOC2)CC1
InChIInChI=1S/C22H28N4O3/c27-21(7-6-17-4-2-1-3-5-17)24-20-8-12-23-26(20)19-9-13-25(14-10-19)22(28)18-11-15-29-16-18/h1-5,8,12,18-19H,6-7,9-11,13-16H2,(H,24,27)
InChIKeyZWZFXWRNUGROGJ-UHFFFAOYSA-N
XLogP2.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.65
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-[2-[1-(2-methylbenzyl)-4-piperidyl]pyrazol-3-yl]-4-phenyl-butyramide
CID 24790158
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
N-(1-{1-[3-(4-fluorophenyl)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)tetrahydro-3-furancarboxamide
CID 24792122
N-[2-[1-(1-cyclohex-3-enylmethyl)-4-piperidinyl]-3-pyrazolyl]benzamide
CID 24792982
4-phenyl-N-{1-[1-(2-phenylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 24793152

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The IUPAC name of N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide (CID 45196363) is N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2CCOC2)CC1.
What is the InChIKey of N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
The InChIKey is ZWZFXWRNUGROGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c27-21(7-6-17-4-2-1-3-5-17)24-20-8-12-23-26(20)19-9-13-25(14-10-19)22(28)18-11-15-29-16-18/h1-5,8,12,18-19H,6-7,9-11,13-16H2,(H,24,27).
What are the key properties of N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide?
N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide has a molecular weight of 396.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(oxolane-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide is sourced from PubChem (CID 45196363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).