7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one

C24H27NO3 — CID 134816331

IUPAC7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
InChIInChI=1S/C24H27NO3/c1-18-15-24(26)28-23-17-21(7-8-22(18)23)27-14-13-25-11-9-20(10-12-25)16-19-5-3-2-4-6-19/h2-8,15,17,20H,9-14,16H2,1H3
InChIKeyNPWWCJQCZNQRMS-UHFFFAOYSA-N
MW377.48 g/mol
LogP4.43
Rot. Bonds6

About 7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one

7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one (PubChem CID 134816331) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one
PubChem CID134816331
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12
InChIInChI=1S/C24H27NO3/c1-18-15-24(26)28-23-17-21(7-8-22(18)23)27-14-13-25-11-9-20(10-12-25)16-19-5-3-2-4-6-19/h2-8,15,17,20H,9-14,16H2,1H3
InChIKeyNPWWCJQCZNQRMS-UHFFFAOYSA-N
XLogP4.43
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-benzylpiperidin-1-yl)butoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one;hydrochloride
CID 90357370
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
7-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethoxy]-4-methylchromen-2-one
CID 24627943
4-methyl-7-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]chromen-2-one
CID 14014459
4-methyl-7-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 11654031
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
4-benzyl-1-(2-phenoxyethyl)piperidine;oxalic acid
CID 2923141
3-[3-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]propoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 78427079
7-[5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]pentoxy]-4-methylchromen-2-one
CID 71681363
4-[(4-methylphenyl)methyl]-1-[2-(3-nitro-4-phenylmethoxyphenoxy)ethyl]piperidine
CID 23294405
7-(2-imidazol-1-ylethoxy)-4-methylchromen-2-one
CID 3074198
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one (CID 134816331) is 7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12.
What is the InChIKey of 7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one?
The InChIKey is NPWWCJQCZNQRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-18-15-24(26)28-23-17-21(7-8-22(18)23)27-14-13-25-11-9-20(10-12-25)16-19-5-3-2-4-6-19/h2-8,15,17,20H,9-14,16H2,1H3.
What are the key properties of 7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one?
7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one has a molecular weight of 377.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one is sourced from PubChem (CID 134816331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).