3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine

C20H29N3O — CID 70745905

IUPAC3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine
SMILESCOCCCC1CCCN(Cc2cn(-c3ccccc3)nc2C)C1
InChIInChI=1S/C20H29N3O/c1-17-19(16-23(21-17)20-10-4-3-5-11-20)15-22-12-6-8-18(14-22)9-7-13-24-2/h3-5,10-11,16,18H,6-9,12-15H2,1-2H3
InChIKeyMKPNPOWMEMSIAQ-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.82
Rot. Bonds7

About 3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine

3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine (PubChem CID 70745905) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine
PubChem CID70745905
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine
SMILESCOCCCC1CCCN(Cc2cn(-c3ccccc3)nc2C)C1
InChIInChI=1S/C20H29N3O/c1-17-19(16-23(21-17)20-10-4-3-5-11-20)15-22-12-6-8-18(14-22)9-7-13-24-2/h3-5,10-11,16,18H,6-9,12-15H2,1-2H3
InChIKeyMKPNPOWMEMSIAQ-UHFFFAOYSA-N
XLogP3.82
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(3S)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 95722904
1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
CID 77082596
4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine
CID 77091492
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
3-methyl-1-(4-methylphenyl)-4-[[3-(phenoxymethyl)azetidin-1-yl]methyl]pyrazole
CID 166398369
[(4aS,8aS)-1-methyl-7-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135102042
methyl (2S,3S)-3-hydroxy-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-2-carboxylate
CID 124736233
2-[[1-[(3-methyl-1-pyridin-4-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]phenol
CID 166307073
3-[[(3S)-3-(3-methoxypropyl)piperidin-1-yl]methyl]benzonitrile
CID 99926601
3-[[(3R)-3-(3-methoxypropyl)piperidin-1-yl]methyl]benzonitrile
CID 99926603
(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770086
N-[[(3S)-1-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]acetamide
CID 97085545

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine?
The IUPAC name of 3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine (CID 70745905) is 3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine.
What is the SMILES notation for 3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine?
The canonical SMILES for 3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine is COCCCC1CCCN(Cc2cn(-c3ccccc3)nc2C)C1.
What is the InChIKey of 3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine?
The InChIKey is MKPNPOWMEMSIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-17-19(16-23(21-17)20-10-4-3-5-11-20)15-22-12-6-8-18(14-22)9-7-13-24-2/h3-5,10-11,16,18H,6-9,12-15H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine?
3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine has a molecular weight of 327.47 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine is sourced from PubChem (CID 70745905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).