[4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

C22H28N6O4 — CID 94086641

IUPAC[4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC[C@@](C)(c1nnnn1-c1ccc(OC)c(OC)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H28N6O4/c1-5-22(2,27-12-10-26(11-13-27)20(29)18-7-6-14-32-18)21-23-24-25-28(21)16-8-9-17(30-3)19(15-16)31-4/h6-9,14-15H,5,10-13H2,1-4H3/t22-/m0/s1
InChIKeyLOWHJACAVQUKAM-QFIPXVFZSA-N
MW440.50 g/mol
LogP2.36
Rot. Bonds7

About [4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 94086641) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is [4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID94086641
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC Name[4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCC[C@@](C)(c1nnnn1-c1ccc(OC)c(OC)c1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H28N6O4/c1-5-22(2,27-12-10-26(11-13-27)20(29)18-7-6-14-32-18)21-23-24-25-28(21)16-8-9-17(30-3)19(15-16)31-4/h6-9,14-15H,5,10-13H2,1-4H3/t22-/m0/s1
InChIKeyLOWHJACAVQUKAM-QFIPXVFZSA-N
XLogP2.36
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-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

furan-2-yl-[4-[(2S)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]methanone
CID 94086673
(2R)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]-N-(furan-2-ylmethyl)butan-2-amine
CID 94086636
[4-[(R)-(1-tert-butyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1444001
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 26918816
furan-2-yl-[4-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1444298
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 110807734
[4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1443764
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 17461515
[4-[6,7-dimethoxy-3-(methylamino)quinoxalin-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 23934063
[4-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 7383929
furan-2-yl-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 23793021

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 94086641) is [4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone is CC[C@@](C)(c1nnnn1-c1ccc(OC)c(OC)c1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is LOWHJACAVQUKAM-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-5-22(2,27-12-10-26(11-13-27)20(29)18-7-6-14-32-18)21-23-24-25-28(21)16-8-9-17(30-3)19(15-16)31-4/h6-9,14-15H,5,10-13H2,1-4H3/t22-/m0/s1.
What are the key properties of [4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 440.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]butan-2-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 94086641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).