[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone

C23H29N3O4 — CID 1030634

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3C)C2)CC1
InChIInChI=1S/C23H29N3O4/c1-17-19(9-15-30-17)23(28)26-10-5-6-18(16-26)22(27)25-13-11-24(12-14-25)20-7-3-4-8-21(20)29-2/h3-4,7-9,15,18H,5-6,10-14,16H2,1-2H3/t18-/m1/s1
InChIKeyNNHUUZSNGSQIFG-GOSISDBHSA-N
MW411.50 g/mol
LogP2.80
Rot. Bonds4

About [4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone

[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 1030634) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
PubChem CID1030634
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3C)C2)CC1
InChIInChI=1S/C23H29N3O4/c1-17-19(9-15-30-17)23(28)26-10-5-6-18(16-26)22(27)25-13-11-24(12-14-25)20-7-3-4-8-21(20)29-2/h3-4,7-9,15,18H,5-6,10-14,16H2,1-2H3/t18-/m1/s1
InChIKeyNNHUUZSNGSQIFG-GOSISDBHSA-N
XLogP2.80
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 4615764
[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 42780034
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
(4-benzylpiperidin-1-yl)-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 3492446
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 4684165
(4-ethylpiperazin-4-ium-1-yl)-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone
CID 7419606
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 70720977
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone (CID 1030634) is [4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone is COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3C)C2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is NNHUUZSNGSQIFG-GOSISDBHSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-17-19(9-15-30-17)23(28)26-10-5-6-18(16-26)22(27)25-13-11-24(12-14-25)20-7-3-4-8-21(20)29-2/h3-4,7-9,15,18H,5-6,10-14,16H2,1-2H3/t18-/m1/s1.
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 411.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(2-methylfuran-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 1030634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).