(5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone

C26H29N3O2 — CID 53194005

IUPAC(5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1oc2c(c1C(=O)N1CCN(c3ccccc3)CC1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C26H29N3O2/c1-20-25(26(30)29-16-14-28(15-17-29)22-10-6-3-7-11-22)23-19-27(13-12-24(23)31-20)18-21-8-4-2-5-9-21/h2-11H,12-19H2,1H3
InChIKeyFYDMOSHFQIEKNT-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.11
Rot. Bonds4

About (5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone

(5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 53194005) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID53194005
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name(5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1oc2c(c1C(=O)N1CCN(c3ccccc3)CC1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C26H29N3O2/c1-20-25(26(30)29-16-14-28(15-17-29)22-10-6-3-7-11-22)23-19-27(13-12-24(23)31-20)18-21-8-4-2-5-9-21/h2-11H,12-19H2,1H3
InChIKeyFYDMOSHFQIEKNT-UHFFFAOYSA-N
XLogP4.11
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-benzyl-1-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 97442663
5-benzyl-2-methyl-N-[1-(3-methylpyrazol-1-yl)propan-2-yl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carboxamide
CID 53194011
ethyl (3R)-1-[2-methyl-5-[(4-methylphenyl)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
CID 95112154
ethyl 1-benzyl-3,5-dimethyl-4-(4-phenylpiperazine-1-carbonyl)pyrrole-2-carboxylate
CID 43954463
ethyl (3R)-1-[5-[(3-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
CID 95112175
ethyl (3S)-1-[5-[(4-methoxyphenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]piperidine-3-carboxylate
CID 95112159
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 9348757
methyl 2-[[5-[(4-fluorophenyl)methyl]-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridine-3-carbonyl]amino]acetate
CID 53194106
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone (CID 53194005) is (5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1oc2c(c1C(=O)N1CCN(c3ccccc3)CC1)CN(Cc1ccccc1)CC2.
What is the InChIKey of (5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FYDMOSHFQIEKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-20-25(26(30)29-16-14-28(15-17-29)22-10-6-3-7-11-22)23-19-27(13-12-24(23)31-20)18-21-8-4-2-5-9-21/h2-11H,12-19H2,1H3.
What are the key properties of (5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 415.54 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-2-methyl-6,7-dihydro-4H-furo[3,2-c]pyridin-3-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 53194005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).