[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone

C22H29N3O2 — CID 97436355

IUPAC[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
SMILESCCc1oc(C(=O)N2CCN[C@H](c3ccccc3)C2)cc1CN1CCCC1
InChIInChI=1S/C22H29N3O2/c1-2-20-18(15-24-11-6-7-12-24)14-21(27-20)22(26)25-13-10-23-19(16-25)17-8-4-3-5-9-17/h3-5,8-9,14,19,23H,2,6-7,10-13,15-16H2,1H3/t19-/m0/s1
InChIKeyKUIGRERQRJAAEE-IBGZPJMESA-N
MW367.49 g/mol
LogP3.22
Rot. Bonds5

About [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone

[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone (PubChem CID 97436355) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
PubChem CID97436355
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
SMILESCCc1oc(C(=O)N2CCN[C@H](c3ccccc3)C2)cc1CN1CCCC1
InChIInChI=1S/C22H29N3O2/c1-2-20-18(15-24-11-6-7-12-24)14-21(27-20)22(26)25-13-10-23-19(16-25)17-8-4-3-5-9-17/h3-5,8-9,14,19,23H,2,6-7,10-13,15-16H2,1H3/t19-/m0/s1
InChIKeyKUIGRERQRJAAEE-IBGZPJMESA-N
XLogP3.22
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(3S,6R)-6-amino-1-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]azepane-3-carboxylic acid;dihydrochloride
CID 171339464
5-ethyl-4-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 1093415
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
[5-ethyl-4-(morpholin-4-ylmethyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 46957633
6-[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]-1,6,10-triazabicyclo[11.4.0]heptadecan-11-one
CID 157018108
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
5-ethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 46997339
(2-methylpyrimidin-5-yl)-(3-phenylpiperazin-1-yl)methanone
CID 72886763
[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697611
[3-(3-hydroxy-3-methylbutyl)phenyl]-(3-phenylpiperazin-1-yl)methanone
CID 70742075
5-ethyl-4-[(3-methyl-4-phenylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 154771285
1-(3-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 82242997

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone?
The IUPAC name of [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone (CID 97436355) is [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone?
The canonical SMILES for [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone is CCc1oc(C(=O)N2CCN[C@H](c3ccccc3)C2)cc1CN1CCCC1.
What is the InChIKey of [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone?
The InChIKey is KUIGRERQRJAAEE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-20-18(15-24-11-6-7-12-24)14-21(27-20)22(26)25-13-10-23-19(16-25)17-8-4-3-5-9-17/h3-5,8-9,14,19,23H,2,6-7,10-13,15-16H2,1H3/t19-/m0/s1.
What are the key properties of [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone?
[5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone has a molecular weight of 367.49 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 97436355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).